[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol

C23H25NO — CID 54528653

IUPAC[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol
SMILESCc1ccc(N(c2ccc(CO)cc2)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C23H25NO/c1-16-5-9-22(13-18(16)3)24(21-11-7-20(15-25)8-12-21)23-10-6-17(2)19(4)14-23/h5-14,25H,15H2,1-4H3
InChIKeyYUYBCAWHWSHKGP-UHFFFAOYSA-N
MW331.46 g/mol
LogP5.88
Rot. Bonds4

About [4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol

[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol (PubChem CID 54528653) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is [4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol.

Molecular Properties

Compound Name[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol
PubChem CID54528653
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol
SMILESCc1ccc(N(c2ccc(CO)cc2)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C23H25NO/c1-16-5-9-22(13-18(16)3)24(21-11-7-20(15-25)8-12-21)23-10-6-17(2)19(4)14-23/h5-14,25H,15H2,1-4H3
InChIKeyYUYBCAWHWSHKGP-UHFFFAOYSA-N
XLogP5.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

C.I. 42555:1
CID 68050
4,4'-Bis(dimethylamino)benzhydrol
CID 92742
Malachite Green carbinol
CID 10521
4-Dimethylaminobenzyl alcohol
CID 137166
Benzenemethanol, 4-(dimethylamino)-alpha,alpha-diphenyl-
CID 614765
4-(Dimethylamino)benzhydrol
CID 344837
Bis(4-(dimethylamino)phenyl)(phenyl)methanol--hydrogen chloride (1/1)
CID 16211552
Benzenemethanol, 4-(diethylamino)-alpha,alpha-bis(4-(diethylamino)phenyl)-
CID 68999
2,2-Bis[4-(dimethylamino)phenyl]-1-phenylethanol
CID 234827
[4-(Dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanol
CID 44580866
[5-[1-[N-ethyl-3,5-bis(trifluoromethyl)anilino]ethyl]-2-methylphenyl]methanol
CID 118349198
4,4'-Bis(diethylamino)benzhydryl alcohol
CID 67257

Frequently Asked Questions

What is the IUPAC name of [4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol?
The IUPAC name of [4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol (CID 54528653) is [4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol.
What is the SMILES notation for [4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol?
The canonical SMILES for [4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol is Cc1ccc(N(c2ccc(CO)cc2)c2ccc(C)c(C)c2)cc1C.
What is the InChIKey of [4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol?
The InChIKey is YUYBCAWHWSHKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO/c1-16-5-9-22(13-18(16)3)24(21-11-7-20(15-25)8-12-21)23-10-6-17(2)19(4)14-23/h5-14,25H,15H2,1-4H3.
What are the key properties of [4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol?
[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol has a molecular weight of 331.46 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol is sourced from PubChem (CID 54528653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).