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

C19H25NO — CID 18640444

IUPAC(2S)-2-amino-3-methyl-1,1-bis(4-methylphenyl)butan-1-ol
SMILESCc1ccc(C(O)(c2ccc(C)cc2)[C@@H](N)C(C)C)cc1
InChIInChI=1S/C19H25NO/c1-13(2)18(20)19(21,16-9-5-14(3)6-10-16)17-11-7-15(4)8-12-17/h5-13,18,21H,20H2,1-4H3/t18-/m0/s1
InChIKeyPDPRPBDFNNXYAB-SFHVURJKSA-N
MW283.42 g/mol
LogP3.52
Rot. Bonds4

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

(2S)-2-amino-3-methyl-1,1-bis(4-methylphenyl)butan-1-ol (PubChem CID 18640444) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-1,1-bis(4-methylphenyl)butan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-1,1-bis(4-methylphenyl)butan-1-ol
PubChem CID18640444
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name(2S)-2-amino-3-methyl-1,1-bis(4-methylphenyl)butan-1-ol
SMILESCc1ccc(C(O)(c2ccc(C)cc2)[C@@H](N)C(C)C)cc1
InChIInChI=1S/C19H25NO/c1-13(2)18(20)19(21,16-9-5-14(3)6-10-16)17-11-7-15(4)8-12-17/h5-13,18,21H,20H2,1-4H3/t18-/m0/s1
InChIKeyPDPRPBDFNNXYAB-SFHVURJKSA-N
XLogP3.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3,3-dimethyl-1,1-bis(4-methylphenyl)butan-1-ol
CID 18373849
2-amino-1-(4-methylphenyl)-1-phenylpropan-1-ol
CID 19358994
3-hydroxy-2-methyl-3,3-bis(4-methylphenyl)propanenitrile
CID 163818996
N,N'-bis[(2R)-1-hydroxy-3-methyl-1,1-bis(4-methylphenyl)butan-2-yl]oxamide
CID 69006626
(2S)-2-amino-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol
CID 101072833
(2R)-2-amino-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol
CID 22084869
(2R)-3-methyl-2-(4-methylphenyl)butan-2-ol
CID 93299009
(3S)-2,3,4-trimethyl-4-(4-methylphenyl)pentan-2-ol
CID 125487298
2,2-bis(4-methylphenyl)propanediamide
CID 174721937
1-[dichloro-(4-methylphenyl)methyl]-4-methylbenzene
CID 11832317
(1S)-1-amino-2-methyl-1-(4-methylphenyl)propan-2-ol
CID 144598850
2,3-dihydroxy-2,3-bis(4-methylphenyl)butanediamide
CID 141074859

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-1,1-bis(4-methylphenyl)butan-1-ol?
The IUPAC name of (2S)-2-amino-3-methyl-1,1-bis(4-methylphenyl)butan-1-ol (CID 18640444) is (2S)-2-amino-3-methyl-1,1-bis(4-methylphenyl)butan-1-ol.
What is the SMILES notation for (2S)-2-amino-3-methyl-1,1-bis(4-methylphenyl)butan-1-ol?
The canonical SMILES for (2S)-2-amino-3-methyl-1,1-bis(4-methylphenyl)butan-1-ol is Cc1ccc(C(O)(c2ccc(C)cc2)[C@@H](N)C(C)C)cc1.
What is the InChIKey of (2S)-2-amino-3-methyl-1,1-bis(4-methylphenyl)butan-1-ol?
The InChIKey is PDPRPBDFNNXYAB-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25NO/c1-13(2)18(20)19(21,16-9-5-14(3)6-10-16)17-11-7-15(4)8-12-17/h5-13,18,21H,20H2,1-4H3/t18-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-1,1-bis(4-methylphenyl)butan-1-ol?
(2S)-2-amino-3-methyl-1,1-bis(4-methylphenyl)butan-1-ol has a molecular weight of 283.42 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-1,1-bis(4-methylphenyl)butan-1-ol is sourced from PubChem (CID 18640444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).