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

C20H27NO — CID 18373849

IUPAC2-amino-3,3-dimethyl-1,1-bis(4-methylphenyl)butan-1-ol
SMILESCc1ccc(C(O)(c2ccc(C)cc2)C(N)C(C)(C)C)cc1
InChIInChI=1S/C20H27NO/c1-14-6-10-16(11-7-14)20(22,18(21)19(3,4)5)17-12-8-15(2)9-13-17/h6-13,18,22H,21H2,1-5H3
InChIKeyRFRUPCBMEBMDEH-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.91
Rot. Bonds3

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

2-amino-3,3-dimethyl-1,1-bis(4-methylphenyl)butan-1-ol (PubChem CID 18373849) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-amino-3,3-dimethyl-1,1-bis(4-methylphenyl)butan-1-ol.

Molecular Properties

Compound Name2-amino-3,3-dimethyl-1,1-bis(4-methylphenyl)butan-1-ol
PubChem CID18373849
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name2-amino-3,3-dimethyl-1,1-bis(4-methylphenyl)butan-1-ol
SMILESCc1ccc(C(O)(c2ccc(C)cc2)C(N)C(C)(C)C)cc1
InChIInChI=1S/C20H27NO/c1-14-6-10-16(11-7-14)20(22,18(21)19(3,4)5)17-12-8-15(2)9-13-17/h6-13,18,22H,21H2,1-5H3
InChIKeyRFRUPCBMEBMDEH-UHFFFAOYSA-N
XLogP3.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-methyl-1,1-bis(4-methylphenyl)butan-1-ol
CID 18640444
2-amino-1-(4-methylphenyl)-1-phenylpropan-1-ol
CID 19358994
(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
3-hydroxy-2-methyl-3,3-bis(4-methylphenyl)propanenitrile
CID 163818996
1-tert-butyl-4-methylbenzene
CID 163486601
(1S)-1-amino-2-methyl-1-(4-methylphenyl)propan-2-ol
CID 144598850
N,N'-bis[(2R)-1-hydroxy-3-methyl-1,1-bis(4-methylphenyl)butan-2-yl]oxamide
CID 69006626
(3S)-2,3,4-trimethyl-4-(4-methylphenyl)pentan-2-ol
CID 125487298
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
1,1-bis(4-methylphenyl)prop-2-en-1-ol
CID 117063352

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dimethyl-1,1-bis(4-methylphenyl)butan-1-ol?
The IUPAC name of 2-amino-3,3-dimethyl-1,1-bis(4-methylphenyl)butan-1-ol (CID 18373849) is 2-amino-3,3-dimethyl-1,1-bis(4-methylphenyl)butan-1-ol.
What is the SMILES notation for 2-amino-3,3-dimethyl-1,1-bis(4-methylphenyl)butan-1-ol?
The canonical SMILES for 2-amino-3,3-dimethyl-1,1-bis(4-methylphenyl)butan-1-ol is Cc1ccc(C(O)(c2ccc(C)cc2)C(N)C(C)(C)C)cc1.
What is the InChIKey of 2-amino-3,3-dimethyl-1,1-bis(4-methylphenyl)butan-1-ol?
The InChIKey is RFRUPCBMEBMDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-14-6-10-16(11-7-14)20(22,18(21)19(3,4)5)17-12-8-15(2)9-13-17/h6-13,18,22H,21H2,1-5H3.
What are the key properties of 2-amino-3,3-dimethyl-1,1-bis(4-methylphenyl)butan-1-ol?
2-amino-3,3-dimethyl-1,1-bis(4-methylphenyl)butan-1-ol has a molecular weight of 297.44 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-dimethyl-1,1-bis(4-methylphenyl)butan-1-ol is sourced from PubChem (CID 18373849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).