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

C16H26ClNO2 — CID 45265264

IUPAC(1S,2R)-3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride
SMILESCOc1ccc([C@H](CN)[C@@H](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/t15-,16-;/m0./s1
InChIKeyBISDZXSPECCJOM-MOGJOVFKSA-N
MW299.84 g/mol
LogP3.10
Rot. Bonds5

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

(1S,2R)-3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride (PubChem CID 45265264) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is (1S,2R)-3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride
PubChem CID45265264
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name(1S,2R)-3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride
SMILESCOc1ccc([C@H](CN)[C@@H](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/t15-,16-;/m0./s1
InChIKeyBISDZXSPECCJOM-MOGJOVFKSA-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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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride?
The IUPAC name of (1S,2R)-3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride (CID 45265264) is (1S,2R)-3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for (1S,2R)-3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride?
The canonical SMILES for (1S,2R)-3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride is COc1ccc([C@H](CN)[C@@H](O)C2CCCCC2)cc1.Cl.
What is the InChIKey of (1S,2R)-3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride?
The InChIKey is BISDZXSPECCJOM-MOGJOVFKSA-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/t15-,16-;/m0./s1.
What are the key properties of (1S,2R)-3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride?
(1S,2R)-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 (1S,2R)-3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 45265264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).