2,2-dimethyl-3-(4-methylanilino)-1,3-diphenylpropan-1-ol

C24H27NO — CID 607318

IUPAC2,2-dimethyl-3-(4-methylanilino)-1,3-diphenylpropan-1-ol
SMILESCc1ccc(NC(c2ccccc2)C(C)(C)C(O)c2ccccc2)cc1
InChIInChI=1S/C24H27NO/c1-18-14-16-21(17-15-18)25-22(19-10-6-4-7-11-19)24(2,3)23(26)20-12-8-5-9-13-20/h4-17,22-23,25-26H,1-3H3
InChIKeyCPVKBPABUCMEJZ-UHFFFAOYSA-N
MW345.49 g/mol
LogP5.91
Rot. Bonds6

About 2,2-dimethyl-3-(4-methylanilino)-1,3-diphenylpropan-1-ol

2,2-dimethyl-3-(4-methylanilino)-1,3-diphenylpropan-1-ol (PubChem CID 607318) has the molecular formula C24H27NO and a molecular weight of 345.49 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-methylanilino)-1,3-diphenylpropan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-methylanilino)-1,3-diphenylpropan-1-ol
PubChem CID607318
Molecular FormulaC24H27NO
Molecular Weight345.49 g/mol
Exact Mass345.21
IUPAC Name2,2-dimethyl-3-(4-methylanilino)-1,3-diphenylpropan-1-ol
SMILESCc1ccc(NC(c2ccccc2)C(C)(C)C(O)c2ccccc2)cc1
InChIInChI=1S/C24H27NO/c1-18-14-16-21(17-15-18)25-22(19-10-6-4-7-11-19)24(2,3)23(26)20-12-8-5-9-13-20/h4-17,22-23,25-26H,1-3H3
InChIKeyCPVKBPABUCMEJZ-UHFFFAOYSA-N
XLogP5.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol
CID 100943216
N-[(1R)-2,2-dimethyl-1-phenylpropyl]aniline
CID 66545590
N-(2,2-dimethyl-1-phenylpropyl)aniline
CID 11402191
(2S)-2-(4-methylanilino)-1,2-diphenylethanone
CID 36689295
3-(N,4-dimethylanilino)-2,2-dimethyl-1-phenylpropan-1-ol
CID 63193525
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-4-methoxyaniline
CID 11219419
methylamino-(4-methylanilino)methanol
CID 166978175
3,3-dimethyl-4-phenylbutane-1,2,4-triol
CID 132576079
4-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline
CID 43765835
4-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]aniline
CID 762865
2-hydroxy-N-(4-methylphenyl)-2-phenylacetamide
CID 3709657
ethyl (2S,3R)-3-anilino-2-hydroxy-2-methyl-3-phenylpropanoate
CID 102168134

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-methylanilino)-1,3-diphenylpropan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(4-methylanilino)-1,3-diphenylpropan-1-ol (CID 607318) is 2,2-dimethyl-3-(4-methylanilino)-1,3-diphenylpropan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(4-methylanilino)-1,3-diphenylpropan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(4-methylanilino)-1,3-diphenylpropan-1-ol is Cc1ccc(NC(c2ccccc2)C(C)(C)C(O)c2ccccc2)cc1.
What is the InChIKey of 2,2-dimethyl-3-(4-methylanilino)-1,3-diphenylpropan-1-ol?
The InChIKey is CPVKBPABUCMEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO/c1-18-14-16-21(17-15-18)25-22(19-10-6-4-7-11-19)24(2,3)23(26)20-12-8-5-9-13-20/h4-17,22-23,25-26H,1-3H3.
What are the key properties of 2,2-dimethyl-3-(4-methylanilino)-1,3-diphenylpropan-1-ol?
2,2-dimethyl-3-(4-methylanilino)-1,3-diphenylpropan-1-ol has a molecular weight of 345.49 g/mol, XLogP of 5.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-methylanilino)-1,3-diphenylpropan-1-ol is sourced from PubChem (CID 607318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).