(1R,2R,5R)-2-amino-5-[(4-phenylphenyl)methyl]cyclohexan-1-ol;hydrochloride

C19H24ClNO — CID 70448694

IUPAC(1R,2R,5R)-2-amino-5-[(4-phenylphenyl)methyl]cyclohexan-1-ol;hydrochloride
SMILESCl.N[C@@H]1CC[C@H](Cc2ccc(-c3ccccc3)cc2)C[C@H]1O
InChIInChI=1S/C19H23NO.ClH/c20-18-11-8-15(13-19(18)21)12-14-6-9-17(10-7-14)16-4-2-1-3-5-16;/h1-7,9-10,15,18-19,21H,8,11-13,20H2;1H/t15-,18-,19-;/m1./s1
InChIKeyQFUPTCHQLKTEAS-UJFDOPBTSA-N
MW317.86 g/mol
LogP3.81
Rot. Bonds3

About (1R,2R,5R)-2-amino-5-[(4-phenylphenyl)methyl]cyclohexan-1-ol;hydrochloride

(1R,2R,5R)-2-amino-5-[(4-phenylphenyl)methyl]cyclohexan-1-ol;hydrochloride (PubChem CID 70448694) has the molecular formula C19H24ClNO and a molecular weight of 317.86 g/mol. Its IUPAC name is (1R,2R,5R)-2-amino-5-[(4-phenylphenyl)methyl]cyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2R,5R)-2-amino-5-[(4-phenylphenyl)methyl]cyclohexan-1-ol;hydrochloride
PubChem CID70448694
Molecular FormulaC19H24ClNO
Molecular Weight317.86 g/mol
Exact Mass317.15
IUPAC Name(1R,2R,5R)-2-amino-5-[(4-phenylphenyl)methyl]cyclohexan-1-ol;hydrochloride
SMILESCl.N[C@@H]1CC[C@H](Cc2ccc(-c3ccccc3)cc2)C[C@H]1O
InChIInChI=1S/C19H23NO.ClH/c20-18-11-8-15(13-19(18)21)12-14-6-9-17(10-7-14)16-4-2-1-3-5-16;/h1-7,9-10,15,18-19,21H,8,11-13,20H2;1H/t15-,18-,19-;/m1./s1
InChIKeyQFUPTCHQLKTEAS-UJFDOPBTSA-N
XLogP3.81
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R)-2-amino-5-[(4-phenylphenyl)methyl]cyclohexan-1-ol;hydrochloride?
The IUPAC name of (1R,2R,5R)-2-amino-5-[(4-phenylphenyl)methyl]cyclohexan-1-ol;hydrochloride (CID 70448694) is (1R,2R,5R)-2-amino-5-[(4-phenylphenyl)methyl]cyclohexan-1-ol;hydrochloride.
What is the SMILES notation for (1R,2R,5R)-2-amino-5-[(4-phenylphenyl)methyl]cyclohexan-1-ol;hydrochloride?
The canonical SMILES for (1R,2R,5R)-2-amino-5-[(4-phenylphenyl)methyl]cyclohexan-1-ol;hydrochloride is Cl.N[C@@H]1CC[C@H](Cc2ccc(-c3ccccc3)cc2)C[C@H]1O.
What is the InChIKey of (1R,2R,5R)-2-amino-5-[(4-phenylphenyl)methyl]cyclohexan-1-ol;hydrochloride?
The InChIKey is QFUPTCHQLKTEAS-UJFDOPBTSA-N. The full InChI is InChI=1S/C19H23NO.ClH/c20-18-11-8-15(13-19(18)21)12-14-6-9-17(10-7-14)16-4-2-1-3-5-16;/h1-7,9-10,15,18-19,21H,8,11-13,20H2;1H/t15-,18-,19-;/m1./s1.
What are the key properties of (1R,2R,5R)-2-amino-5-[(4-phenylphenyl)methyl]cyclohexan-1-ol;hydrochloride?
(1R,2R,5R)-2-amino-5-[(4-phenylphenyl)methyl]cyclohexan-1-ol;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R)-2-amino-5-[(4-phenylphenyl)methyl]cyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 70448694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).