[2-[[2-amino-1-(2-chloro-6-methoxyphenyl)ethyl]amino]cyclohexyl]methanol

C16H25ClN2O2 — CID 106360404

IUPAC[2-[[2-amino-1-(2-chloro-6-methoxyphenyl)ethyl]amino]cyclohexyl]methanol
SMILESCOc1cccc(Cl)c1C(CN)NC1CCCCC1CO
InChIInChI=1S/C16H25ClN2O2/c1-21-15-8-4-6-12(17)16(15)14(9-18)19-13-7-3-2-5-11(13)10-20/h4,6,8,11,13-14,19-20H,2-3,5,7,9-10,18H2,1H3
InChIKeyJJMOIWGBWMPYQX-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.49
Rot. Bonds6

About [2-[[2-amino-1-(2-chloro-6-methoxyphenyl)ethyl]amino]cyclohexyl]methanol

[2-[[2-amino-1-(2-chloro-6-methoxyphenyl)ethyl]amino]cyclohexyl]methanol (PubChem CID 106360404) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is [2-[[2-amino-1-(2-chloro-6-methoxyphenyl)ethyl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[[2-amino-1-(2-chloro-6-methoxyphenyl)ethyl]amino]cyclohexyl]methanol
PubChem CID106360404
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name[2-[[2-amino-1-(2-chloro-6-methoxyphenyl)ethyl]amino]cyclohexyl]methanol
SMILESCOc1cccc(Cl)c1C(CN)NC1CCCCC1CO
InChIInChI=1S/C16H25ClN2O2/c1-21-15-8-4-6-12(17)16(15)14(9-18)19-13-7-3-2-5-11(13)10-20/h4,6,8,11,13-14,19-20H,2-3,5,7,9-10,18H2,1H3
InChIKeyJJMOIWGBWMPYQX-UHFFFAOYSA-N
XLogP2.49
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-[[2-amino-1-(2-chloro-6-methoxyphenyl)ethyl]amino]cyclohexyl]methanol with MolForge

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Related Compounds

1-(2-chloro-6-methoxyphenyl)-N-cyclopropylethane-1,2-diamine
CID 104816316
[2-[[2-amino-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexyl]methanol
CID 106360364
[2-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]cyclohexyl]methanol
CID 106360309
1-(2-chloro-6-methoxyphenyl)-N-ethylethane-1,2-diamine
CID 104816313
2-(2-chloro-6-methoxyphenyl)-2-(cyclopentylamino)acetamide
CID 104816493
[2-[[2-amino-1-(2,5-dichlorophenyl)ethyl]amino]cyclopentyl]methanol
CID 106359961
1-(2-chloro-6-methoxyphenyl)-N-(cyclopentylmethyl)-N-methylethane-1,2-diamine
CID 104816340
[2-[(2-amino-1-naphthalen-1-ylethyl)amino]cyclopentyl]methanol
CID 106360045
[2-[[2-amino-1-(5-bromo-2-chlorophenyl)ethyl]amino]cyclopentyl]methanol
CID 106360089
1-(2-chloro-6-methoxyphenyl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine
CID 104816278
[2-[(2-amino-1-thiophen-2-ylethyl)amino]cyclopentyl]methanol
CID 106360158
[2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexyl]methanol
CID 106361157

Frequently Asked Questions

What is the IUPAC name of [2-[[2-amino-1-(2-chloro-6-methoxyphenyl)ethyl]amino]cyclohexyl]methanol?
The IUPAC name of [2-[[2-amino-1-(2-chloro-6-methoxyphenyl)ethyl]amino]cyclohexyl]methanol (CID 106360404) is [2-[[2-amino-1-(2-chloro-6-methoxyphenyl)ethyl]amino]cyclohexyl]methanol.
What is the SMILES notation for [2-[[2-amino-1-(2-chloro-6-methoxyphenyl)ethyl]amino]cyclohexyl]methanol?
The canonical SMILES for [2-[[2-amino-1-(2-chloro-6-methoxyphenyl)ethyl]amino]cyclohexyl]methanol is COc1cccc(Cl)c1C(CN)NC1CCCCC1CO.
What is the InChIKey of [2-[[2-amino-1-(2-chloro-6-methoxyphenyl)ethyl]amino]cyclohexyl]methanol?
The InChIKey is JJMOIWGBWMPYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-21-15-8-4-6-12(17)16(15)14(9-18)19-13-7-3-2-5-11(13)10-20/h4,6,8,11,13-14,19-20H,2-3,5,7,9-10,18H2,1H3.
What are the key properties of [2-[[2-amino-1-(2-chloro-6-methoxyphenyl)ethyl]amino]cyclohexyl]methanol?
[2-[[2-amino-1-(2-chloro-6-methoxyphenyl)ethyl]amino]cyclohexyl]methanol has a molecular weight of 312.84 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-amino-1-(2-chloro-6-methoxyphenyl)ethyl]amino]cyclohexyl]methanol is sourced from PubChem (CID 106360404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).