3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride

C16H26ClNO2 — CID 75106370

IUPAC3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride
SMILESCOc1ccc(C(CN)C(O)C2CCCCC2)cc1.Cl
InChIInChI=1S/C16H25NO2.ClH/c1-19-14-9-7-12(8-10-14)15(11-17)16(18)13-5-3-2-4-6-13;/h7-10,13,15-16,18H,2-6,11,17H2,1H3;1H
InChIKeyBISDZXSPECCJOM-UHFFFAOYSA-N
MW299.84 g/mol
LogP3.10
Rot. Bonds5

About 3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride

3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride (PubChem CID 75106370) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is 3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride
PubChem CID75106370
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride
SMILESCOc1ccc(C(CN)C(O)C2CCCCC2)cc1.Cl
InChIInChI=1S/C16H25NO2.ClH/c1-19-14-9-7-12(8-10-14)15(11-17)16(18)13-5-3-2-4-6-13;/h7-10,13,15-16,18H,2-6,11,17H2,1H3;1H
InChIKeyBISDZXSPECCJOM-UHFFFAOYSA-N
XLogP3.10
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxyphenyl)ethanol;hydrochloride
CID 171160552
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3-amino-1-cyclopentyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol
CID 65189415
3-amino-1-cyclopropyl-2-(4-ethoxyphenyl)propan-1-ol
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3-amino-1-cyclobutyl-2-(4-fluorophenyl)propan-1-ol
CID 65185834
3-amino-1-cyclopentyl-2-(2-methoxyphenyl)propan-1-ol
CID 65190124
2-cyclohexyl-2-methoxy-1-(4-methoxyphenyl)ethanol
CID 116756367
1-amino-4-ethyl-2-(4-methoxyphenyl)hexan-3-ol
CID 65185548
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CID 65188524

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride?
The IUPAC name of 3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride (CID 75106370) is 3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for 3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride?
The canonical SMILES for 3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride is COc1ccc(C(CN)C(O)C2CCCCC2)cc1.Cl.
What is the InChIKey of 3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride?
The InChIKey is BISDZXSPECCJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2.ClH/c1-19-14-9-7-12(8-10-14)15(11-17)16(18)13-5-3-2-4-6-13;/h7-10,13,15-16,18H,2-6,11,17H2,1H3;1H.
What are the key properties of 3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride?
3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride has a molecular weight of 299.84 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 75106370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).