1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;hydrochloride

C15H24ClNO2 — CID 68843793

IUPAC1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;hydrochloride
SMILESCOc1ccc(C(N)CC2(O)CCCCC2)cc1.Cl
InChIInChI=1S/C15H23NO2.ClH/c1-18-13-7-5-12(6-8-13)14(16)11-15(17)9-3-2-4-10-15;/h5-8,14,17H,2-4,9-11,16H2,1H3;1H
InChIKeyGEIVFFBKCNRDAY-UHFFFAOYSA-N
MW285.82 g/mol
LogP3.20
Rot. Bonds4

About 1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;hydrochloride

1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;hydrochloride (PubChem CID 68843793) has the molecular formula C15H24ClNO2 and a molecular weight of 285.82 g/mol. Its IUPAC name is 1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;hydrochloride
PubChem CID68843793
Molecular FormulaC15H24ClNO2
Molecular Weight285.82 g/mol
Exact Mass285.15
IUPAC Name1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;hydrochloride
SMILESCOc1ccc(C(N)CC2(O)CCCCC2)cc1.Cl
InChIInChI=1S/C15H23NO2.ClH/c1-18-13-7-5-12(6-8-13)14(16)11-15(17)9-3-2-4-10-15;/h5-8,14,17H,2-4,9-11,16H2,1H3;1H
InChIKeyGEIVFFBKCNRDAY-UHFFFAOYSA-N
XLogP3.20
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 57165649
1-[2-dimethylarsanyl-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;hydrochloride
CID 87689305
1-[[4-[(1R)-1-aminoethyl]phenoxy]methyl]cyclohexan-1-ol
CID 79004891
(3S)-3-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24832880
1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 70626122
bis(1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol);hydrochloride
CID 68818348
3-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 82366864
[3-(1-hydroxycyclohexyl)-3-(4-methoxyphenyl)propyl]-methylazanium chloride
CID 162517103
(1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride
CID 171200883
1-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119293242
2-(1-methoxycyclohexyl)-2-(4-methoxyphenyl)ethanamine
CID 118042370
2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetaldehyde
CID 139595164

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;hydrochloride?
The IUPAC name of 1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;hydrochloride (CID 68843793) is 1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;hydrochloride.
What is the SMILES notation for 1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;hydrochloride?
The canonical SMILES for 1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;hydrochloride is COc1ccc(C(N)CC2(O)CCCCC2)cc1.Cl.
What is the InChIKey of 1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;hydrochloride?
The InChIKey is GEIVFFBKCNRDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2.ClH/c1-18-13-7-5-12(6-8-13)14(16)11-15(17)9-3-2-4-10-15;/h5-8,14,17H,2-4,9-11,16H2,1H3;1H.
What are the key properties of 1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;hydrochloride?
1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;hydrochloride has a molecular weight of 285.82 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 68843793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).