[3-[4-[[6-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]phenyl]phenyl]methanol

C28H33NO2 — CID 59091076

IUPAC[3-[4-[[6-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]phenyl]phenyl]methanol
SMILESCN(C)CCC1CCc2cc(OCc3ccc(-c4cccc(CO)c4)cc3)ccc2C1
InChIInChI=1S/C28H33NO2/c1-29(2)15-14-21-6-11-27-18-28(13-12-26(27)16-21)31-20-22-7-9-24(10-8-22)25-5-3-4-23(17-25)19-30/h3-5,7-10,12-13,17-18,21,30H,6,11,14-16,19-20H2,1-2H3
InChIKeySGTXHYBXXZWMLR-UHFFFAOYSA-N
MW415.58 g/mol
LogP5.48
Rot. Bonds8

About [3-[4-[[6-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]phenyl]phenyl]methanol

[3-[4-[[6-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]phenyl]phenyl]methanol (PubChem CID 59091076) has the molecular formula C28H33NO2 and a molecular weight of 415.58 g/mol. Its IUPAC name is [3-[4-[[6-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]phenyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[4-[[6-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]phenyl]phenyl]methanol
PubChem CID59091076
Molecular FormulaC28H33NO2
Molecular Weight415.58 g/mol
Exact Mass415.25
IUPAC Name[3-[4-[[6-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]phenyl]phenyl]methanol
SMILESCN(C)CCC1CCc2cc(OCc3ccc(-c4cccc(CO)c4)cc3)ccc2C1
InChIInChI=1S/C28H33NO2/c1-29(2)15-14-21-6-11-27-18-28(13-12-26(27)16-21)31-20-22-7-9-24(10-8-22)25-5-3-4-23(17-25)19-30/h3-5,7-10,12-13,17-18,21,30H,6,11,14-16,19-20H2,1-2H3
InChIKeySGTXHYBXXZWMLR-UHFFFAOYSA-N
XLogP5.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[4-[[6-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]phenyl]phenyl]methanol 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

N,N,N'-trimethyl-N'-[2-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethyl]ethane-1,2-diamine;dihydrochloride
CID 18361575
N,N-dimethyl-4-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]butan-1-amine
CID 18361489
2-[6-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine
CID 18361484
hydroxy-dimethyl-[2-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethyl]azanium
CID 91416199
N,N-dimethyl-2-[6-[[4-(2,3,4-trimethoxy-6-methylphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;hydrochloride
CID 18361500
N-methyl-1-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
CID 18361491
2-[6-[(4-naphthalen-2-ylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;propane
CID 158187299
2-[5-[[4-(4-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine
CID 68808496
1-[6-[(3-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylmethanamine
CID 18361480
2-[6-[[4-(1,3-benzodioxol-5-yl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;propane
CID 158666821
2-[1-ethyl-7-[(4-phenylphenyl)methoxy]-3,4-dihydro-2H-quinolin-3-yl]-N,N-dimethylethanamine;dihydrochloride
CID 18361593
[6-[[4-(2-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
CID 20700046

Frequently Asked Questions

What is the IUPAC name of [3-[4-[[6-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]phenyl]phenyl]methanol?
The IUPAC name of [3-[4-[[6-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]phenyl]phenyl]methanol (CID 59091076) is [3-[4-[[6-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]phenyl]phenyl]methanol.
What is the SMILES notation for [3-[4-[[6-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]phenyl]phenyl]methanol?
The canonical SMILES for [3-[4-[[6-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]phenyl]phenyl]methanol is CN(C)CCC1CCc2cc(OCc3ccc(-c4cccc(CO)c4)cc3)ccc2C1.
What is the InChIKey of [3-[4-[[6-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]phenyl]phenyl]methanol?
The InChIKey is SGTXHYBXXZWMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO2/c1-29(2)15-14-21-6-11-27-18-28(13-12-26(27)16-21)31-20-22-7-9-24(10-8-22)25-5-3-4-23(17-25)19-30/h3-5,7-10,12-13,17-18,21,30H,6,11,14-16,19-20H2,1-2H3.
What are the key properties of [3-[4-[[6-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]phenyl]phenyl]methanol?
[3-[4-[[6-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]phenyl]phenyl]methanol has a molecular weight of 415.58 g/mol, XLogP of 5.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[[6-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]phenyl]phenyl]methanol is sourced from PubChem (CID 59091076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).