(1S,2S,4S)-2-amino-4-[(4-phenylphenyl)methyl]cyclohexan-1-ol

C19H23NO — CID 70448623

IUPAC(1S,2S,4S)-2-amino-4-[(4-phenylphenyl)methyl]cyclohexan-1-ol
SMILESN[C@H]1C[C@H](Cc2ccc(-c3ccccc3)cc2)CC[C@@H]1O
InChIInChI=1S/C19H23NO/c20-18-13-15(8-11-19(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/t15-,18-,19-/m0/s1
InChIKeyZGJFECVPFNMWEU-SNRMKQJTSA-N
MW281.40 g/mol
LogP3.38
Rot. Bonds3

About (1S,2S,4S)-2-amino-4-[(4-phenylphenyl)methyl]cyclohexan-1-ol

(1S,2S,4S)-2-amino-4-[(4-phenylphenyl)methyl]cyclohexan-1-ol (PubChem CID 70448623) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (1S,2S,4S)-2-amino-4-[(4-phenylphenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,4S)-2-amino-4-[(4-phenylphenyl)methyl]cyclohexan-1-ol
PubChem CID70448623
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(1S,2S,4S)-2-amino-4-[(4-phenylphenyl)methyl]cyclohexan-1-ol
SMILESN[C@H]1C[C@H](Cc2ccc(-c3ccccc3)cc2)CC[C@@H]1O
InChIInChI=1S/C19H23NO/c20-18-13-15(8-11-19(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/t15-,18-,19-/m0/s1
InChIKeyZGJFECVPFNMWEU-SNRMKQJTSA-N
XLogP3.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S)-2-amino-4-[(4-phenylphenyl)methyl]cyclohexan-1-ol?
The IUPAC name of (1S,2S,4S)-2-amino-4-[(4-phenylphenyl)methyl]cyclohexan-1-ol (CID 70448623) is (1S,2S,4S)-2-amino-4-[(4-phenylphenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for (1S,2S,4S)-2-amino-4-[(4-phenylphenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for (1S,2S,4S)-2-amino-4-[(4-phenylphenyl)methyl]cyclohexan-1-ol is N[C@H]1C[C@H](Cc2ccc(-c3ccccc3)cc2)CC[C@@H]1O.
What is the InChIKey of (1S,2S,4S)-2-amino-4-[(4-phenylphenyl)methyl]cyclohexan-1-ol?
The InChIKey is ZGJFECVPFNMWEU-SNRMKQJTSA-N. The full InChI is InChI=1S/C19H23NO/c20-18-13-15(8-11-19(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/t15-,18-,19-/m0/s1.
What are the key properties of (1S,2S,4S)-2-amino-4-[(4-phenylphenyl)methyl]cyclohexan-1-ol?
(1S,2S,4S)-2-amino-4-[(4-phenylphenyl)methyl]cyclohexan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-2-amino-4-[(4-phenylphenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 70448623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).