(1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol

C19H31NO2 — CID 174358586

IUPAC(1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol
SMILESCCC[C@H](CN)[C@@H](O)c1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C19H31NO2/c1-2-7-17(13-20)19(21)16-10-6-11-18(12-16)22-14-15-8-4-3-5-9-15/h6,10-12,15,17,19,21H,2-5,7-9,13-14,20H2,1H3/t17-,19+/m1/s1
InChIKeyHGTOIXSBZOGEBZ-MJGOQNOKSA-N
MW305.46 g/mol
LogP4.05
Rot. Bonds8

About (1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol

(1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol (PubChem CID 174358586) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is (1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol
PubChem CID174358586
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name(1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol
SMILESCCC[C@H](CN)[C@@H](O)c1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C19H31NO2/c1-2-7-17(13-20)19(21)16-10-6-11-18(12-16)22-14-15-8-4-3-5-9-15/h6,10-12,15,17,19,21H,2-5,7-9,13-14,20H2,1H3/t17-,19+/m1/s1
InChIKeyHGTOIXSBZOGEBZ-MJGOQNOKSA-N
XLogP4.05
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2S)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propane-1,2-diol
CID 58027593
2-(aminomethyl)-1-(3-ethoxyphenyl)pentan-1-ol
CID 79415352
(1S,2R)-2,3-diamino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol
CID 130347435
3-[3-(cyclohexylmethoxy)phenyl]hexan-1-amine
CID 143785986
(1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;ethane
CID 143785909
1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
CID 58097643
3-[3-(cyclooctylmethoxy)phenyl]-3-methoxypropan-1-amine
CID 170002396
1-[3-(cyclopentylmethoxy)phenyl]ethanamine
CID 61344449
(S)-[3-(cyclohexylmethoxy)phenyl]-[(2R)-oxiran-2-yl]methanol
CID 87354283
(2R)-2-[3-(cyclopropylmethoxy)phenyl]propan-1-amine
CID 143948375
(3-propoxyphenoxy)methylcyclooctane
CID 69097441
2-[3-(cyclohexylmethoxy)phenoxy]propan-1-amine
CID 67316667

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol?
The IUPAC name of (1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol (CID 174358586) is (1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol.
What is the SMILES notation for (1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol?
The canonical SMILES for (1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol is CCC[C@H](CN)[C@@H](O)c1cccc(OCC2CCCCC2)c1.
What is the InChIKey of (1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol?
The InChIKey is HGTOIXSBZOGEBZ-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H31NO2/c1-2-7-17(13-20)19(21)16-10-6-11-18(12-16)22-14-15-8-4-3-5-9-15/h6,10-12,15,17,19,21H,2-5,7-9,13-14,20H2,1H3/t17-,19+/m1/s1.
What are the key properties of (1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol?
(1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol has a molecular weight of 305.46 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol is sourced from PubChem (CID 174358586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).