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

C23H32ClNO — CID 70447878

IUPAC(1R,2R,5R)-2-(tert-butylamino)-5-[(4-phenylphenyl)methyl]cyclohexan-1-ol;hydrochloride
SMILESCC(C)(C)N[C@@H]1CC[C@H](Cc2ccc(-c3ccccc3)cc2)C[C@H]1O.Cl
InChIInChI=1S/C23H31NO.ClH/c1-23(2,3)24-21-14-11-18(16-22(21)25)15-17-9-12-20(13-10-17)19-7-5-4-6-8-19;/h4-10,12-13,18,21-22,24-25H,11,14-16H2,1-3H3;1H/t18-,21-,22-;/m1./s1
InChIKeyYAGAQMIEVGQOIQ-FJCYJYNFSA-N
MW373.97 g/mol
LogP5.24
Rot. Bonds4

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

(1R,2R,5R)-2-(tert-butylamino)-5-[(4-phenylphenyl)methyl]cyclohexan-1-ol;hydrochloride (PubChem CID 70447878) has the molecular formula C23H32ClNO and a molecular weight of 373.97 g/mol. Its IUPAC name is (1R,2R,5R)-2-(tert-butylamino)-5-[(4-phenylphenyl)methyl]cyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2R,5R)-2-(tert-butylamino)-5-[(4-phenylphenyl)methyl]cyclohexan-1-ol;hydrochloride
PubChem CID70447878
Molecular FormulaC23H32ClNO
Molecular Weight373.97 g/mol
Exact Mass373.22
IUPAC Name(1R,2R,5R)-2-(tert-butylamino)-5-[(4-phenylphenyl)methyl]cyclohexan-1-ol;hydrochloride
SMILESCC(C)(C)N[C@@H]1CC[C@H](Cc2ccc(-c3ccccc3)cc2)C[C@H]1O.Cl
InChIInChI=1S/C23H31NO.ClH/c1-23(2,3)24-21-14-11-18(16-22(21)25)15-17-9-12-20(13-10-17)19-7-5-4-6-8-19;/h4-10,12-13,18,21-22,24-25H,11,14-16H2,1-3H3;1H/t18-,21-,22-;/m1./s1
InChIKeyYAGAQMIEVGQOIQ-FJCYJYNFSA-N
XLogP5.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.97
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2R,5R)-2-(tert-butylamino)-5-[(4-phenylphenyl)methyl]cyclohexan-1-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R)-2-(tert-butylamino)-5-[(4-phenylphenyl)methyl]cyclohexan-1-ol;hydrochloride?
The IUPAC name of (1R,2R,5R)-2-(tert-butylamino)-5-[(4-phenylphenyl)methyl]cyclohexan-1-ol;hydrochloride (CID 70447878) is (1R,2R,5R)-2-(tert-butylamino)-5-[(4-phenylphenyl)methyl]cyclohexan-1-ol;hydrochloride.
What is the SMILES notation for (1R,2R,5R)-2-(tert-butylamino)-5-[(4-phenylphenyl)methyl]cyclohexan-1-ol;hydrochloride?
The canonical SMILES for (1R,2R,5R)-2-(tert-butylamino)-5-[(4-phenylphenyl)methyl]cyclohexan-1-ol;hydrochloride is CC(C)(C)N[C@@H]1CC[C@H](Cc2ccc(-c3ccccc3)cc2)C[C@H]1O.Cl.
What is the InChIKey of (1R,2R,5R)-2-(tert-butylamino)-5-[(4-phenylphenyl)methyl]cyclohexan-1-ol;hydrochloride?
The InChIKey is YAGAQMIEVGQOIQ-FJCYJYNFSA-N. The full InChI is InChI=1S/C23H31NO.ClH/c1-23(2,3)24-21-14-11-18(16-22(21)25)15-17-9-12-20(13-10-17)19-7-5-4-6-8-19;/h4-10,12-13,18,21-22,24-25H,11,14-16H2,1-3H3;1H/t18-,21-,22-;/m1./s1.
What are the key properties of (1R,2R,5R)-2-(tert-butylamino)-5-[(4-phenylphenyl)methyl]cyclohexan-1-ol;hydrochloride?
(1R,2R,5R)-2-(tert-butylamino)-5-[(4-phenylphenyl)methyl]cyclohexan-1-ol;hydrochloride has a molecular weight of 373.97 g/mol, XLogP of 5.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R)-2-(tert-butylamino)-5-[(4-phenylphenyl)methyl]cyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 70447878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).