(2S)-2-amino-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol

C23H25NO — CID 101072833

IUPAC(2S)-2-amino-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol
SMILESCc1ccc(C(O)(c2ccc(C)cc2)[C@@H](N)Cc2ccccc2)cc1
InChIInChI=1S/C23H25NO/c1-17-8-12-20(13-9-17)23(25,21-14-10-18(2)11-15-21)22(24)16-19-6-4-3-5-7-19/h3-15,22,25H,16,24H2,1-2H3/t22-/m0/s1
InChIKeyZNOVCUROOVMNMO-QFIPXVFZSA-N
MW331.46 g/mol
LogP4.11
Rot. Bonds5

About (2S)-2-amino-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol

(2S)-2-amino-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol (PubChem CID 101072833) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is (2S)-2-amino-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol
PubChem CID101072833
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name(2S)-2-amino-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol
SMILESCc1ccc(C(O)(c2ccc(C)cc2)[C@@H](N)Cc2ccccc2)cc1
InChIInChI=1S/C23H25NO/c1-17-8-12-20(13-9-17)23(25,21-14-10-18(2)11-15-21)22(24)16-19-6-4-3-5-7-19/h3-15,22,25H,16,24H2,1-2H3/t22-/m0/s1
InChIKeyZNOVCUROOVMNMO-QFIPXVFZSA-N
XLogP4.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol
CID 22084869
2-amino-1-(4-methylphenyl)-1-phenylpropan-1-ol
CID 19358994
N,N'-bis[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-phenylpropan-2-yl]propanediamide
CID 69009193
2-(diphenylphosphorylamino)-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol
CID 23420726
3-methyl-1,3-diphenylbutan-2-amine
CID 63086399
(2S)-2-amino-3-methyl-1,1-bis(4-methylphenyl)butan-1-ol
CID 18640444
(2R)-2-amino-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol
CID 70633857
2-amino-3,3-dimethyl-1,1-bis(4-methylphenyl)butan-1-ol
CID 18373849
1-chloro-1-(4-methylphenyl)-2-phenylethanol
CID 139664712
1-N',1-N'-bis[1-hydroxy-1,1-bis(4-methylphenyl)-3-phenylpropan-2-yl]cyclobutane-1,1-dicarboxamide
CID 77217598
1-N',1-N'-bis[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-phenylpropan-2-yl]cyclohexane-1,1-dicarboxamide
CID 66923621
[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]azanium
CID 7023047

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol?
The IUPAC name of (2S)-2-amino-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol (CID 101072833) is (2S)-2-amino-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol.
What is the SMILES notation for (2S)-2-amino-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol?
The canonical SMILES for (2S)-2-amino-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol is Cc1ccc(C(O)(c2ccc(C)cc2)[C@@H](N)Cc2ccccc2)cc1.
What is the InChIKey of (2S)-2-amino-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol?
The InChIKey is ZNOVCUROOVMNMO-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H25NO/c1-17-8-12-20(13-9-17)23(25,21-14-10-18(2)11-15-21)22(24)16-19-6-4-3-5-7-19/h3-15,22,25H,16,24H2,1-2H3/t22-/m0/s1.
What are the key properties of (2S)-2-amino-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol?
(2S)-2-amino-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol has a molecular weight of 331.46 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol is sourced from PubChem (CID 101072833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).