(5S)-6-amino-5-[(6R)-6-[(2-chloro-5-methoxyphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol

C24H32ClNO3 — CID 138467989

IUPAC(5S)-6-amino-5-[(6R)-6-[(2-chloro-5-methoxyphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
SMILESCOc1ccc(Cl)c(OC[C@@H]2CCc3cc([C@@H](CN)CCCCO)ccc3C2)c1
InChIInChI=1S/C24H32ClNO3/c1-28-22-9-10-23(25)24(14-22)29-16-17-5-6-19-13-20(8-7-18(19)12-17)21(15-26)4-2-3-11-27/h7-10,13-14,17,21,27H,2-6,11-12,15-16,26H2,1H3/t17-,21-/m1/s1
InChIKeyCBRLOQDYWAJVFO-DYESRHJHSA-N
MW417.98 g/mol
LogP4.74
Rot. Bonds10

About (5S)-6-amino-5-[(6R)-6-[(2-chloro-5-methoxyphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol

(5S)-6-amino-5-[(6R)-6-[(2-chloro-5-methoxyphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol (PubChem CID 138467989) has the molecular formula C24H32ClNO3 and a molecular weight of 417.98 g/mol. Its IUPAC name is (5S)-6-amino-5-[(6R)-6-[(2-chloro-5-methoxyphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol.

Molecular Properties

Compound Name(5S)-6-amino-5-[(6R)-6-[(2-chloro-5-methoxyphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
PubChem CID138467989
Molecular FormulaC24H32ClNO3
Molecular Weight417.98 g/mol
Exact Mass417.21
IUPAC Name(5S)-6-amino-5-[(6R)-6-[(2-chloro-5-methoxyphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
SMILESCOc1ccc(Cl)c(OC[C@@H]2CCc3cc([C@@H](CN)CCCCO)ccc3C2)c1
InChIInChI=1S/C24H32ClNO3/c1-28-22-9-10-23(25)24(14-22)29-16-17-5-6-19-13-20(8-7-18(19)12-17)21(15-26)4-2-3-11-27/h7-10,13-14,17,21,27H,2-6,11-12,15-16,26H2,1H3/t17-,21-/m1/s1
InChIKeyCBRLOQDYWAJVFO-DYESRHJHSA-N
XLogP4.74
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.98
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (5S)-6-amino-5-[(6R)-6-[(2-chloro-5-methoxyphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-6-amino-5-[(6S)-6-[(2-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
CID 138467658
(5R)-6-amino-5-[(6R)-6-[(3-tert-butyl-4-methoxyphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
CID 138467666
(4R)-5-amino-4-[(6S)-6-[(4-methoxy-2-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-ol
CID 138468005
(5R)-6-amino-5-[(6S)-6-(2-propoxyethoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
CID 138467940
(5R)-6-amino-5-[(6R)-6-[[3-(trifluoromethoxy)phenoxy]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
CID 170025738
3-[[(2R)-6-[(2R)-1-amino-6-hydroxyhexan-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-N,N-dimethylbenzamide
CID 138467670
(5S)-6-amino-5-[(6S)-6-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
CID 138467951
(5R)-6-amino-5-[(6R)-6-(4,4,4-trifluorobutoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
CID 138467665
3-[[(2R)-6-[(2R)-1-amino-6-hydroxyhexan-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-N-ethyl-N-methylbenzamide
CID 155097356
(5R)-6-amino-5-[(6S)-6-(propylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
CID 155097114
(5R)-6-amino-5-[(6S)-6-(butylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
CID 138467941
(5R)-6-amino-5-[(6R)-6-(phenylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
CID 138467972

Frequently Asked Questions

What is the IUPAC name of (5S)-6-amino-5-[(6R)-6-[(2-chloro-5-methoxyphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
The IUPAC name of (5S)-6-amino-5-[(6R)-6-[(2-chloro-5-methoxyphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol (CID 138467989) is (5S)-6-amino-5-[(6R)-6-[(2-chloro-5-methoxyphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol.
What is the SMILES notation for (5S)-6-amino-5-[(6R)-6-[(2-chloro-5-methoxyphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
The canonical SMILES for (5S)-6-amino-5-[(6R)-6-[(2-chloro-5-methoxyphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol is COc1ccc(Cl)c(OC[C@@H]2CCc3cc([C@@H](CN)CCCCO)ccc3C2)c1.
What is the InChIKey of (5S)-6-amino-5-[(6R)-6-[(2-chloro-5-methoxyphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
The InChIKey is CBRLOQDYWAJVFO-DYESRHJHSA-N. The full InChI is InChI=1S/C24H32ClNO3/c1-28-22-9-10-23(25)24(14-22)29-16-17-5-6-19-13-20(8-7-18(19)12-17)21(15-26)4-2-3-11-27/h7-10,13-14,17,21,27H,2-6,11-12,15-16,26H2,1H3/t17-,21-/m1/s1.
What are the key properties of (5S)-6-amino-5-[(6R)-6-[(2-chloro-5-methoxyphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
(5S)-6-amino-5-[(6R)-6-[(2-chloro-5-methoxyphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol has a molecular weight of 417.98 g/mol, XLogP of 4.74, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6-amino-5-[(6R)-6-[(2-chloro-5-methoxyphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol is sourced from PubChem (CID 138467989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).