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

C23H25NO — CID 155273417

IUPAC[2-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol
SMILESCc1ccc(N(c2ccc(C)c(C)c2)c2ccccc2CO)cc1C
InChIInChI=1S/C23H25NO/c1-16-9-11-21(13-18(16)3)24(22-12-10-17(2)19(4)14-22)23-8-6-5-7-20(23)15-25/h5-14,25H,15H2,1-4H3
InChIKeySSZXOIULDNSPBY-UHFFFAOYSA-N
MW331.46 g/mol
LogP5.88
Rot. Bonds4

About [2-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol

[2-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol (PubChem CID 155273417) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is [2-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol.

Molecular Properties

Compound Name[2-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol
PubChem CID155273417
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name[2-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol
SMILESCc1ccc(N(c2ccc(C)c(C)c2)c2ccccc2CO)cc1C
InChIInChI=1S/C23H25NO/c1-16-9-11-21(13-18(16)3)24(22-12-10-17(2)19(4)14-22)23-8-6-5-7-20(23)15-25/h5-14,25H,15H2,1-4H3
InChIKeySSZXOIULDNSPBY-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

N-(3,4-dimethylphenyl)-N-phenylnaphthalen-1-amine
CID 123561846
[2-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methyl prop-2-enoate
CID 155273416
[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol
CID 54528653
[4-(N-(2,4-dimethylphenyl)anilino)-2-methylphenyl]methanol
CID 20580195
6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-dinaphthalen-2-ylchrysene-6,12-diamine
CID 59515013
4-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol
CID 20809986
1-N,4-N-bis(3,4-dimethylphenyl)-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59470459
N-[4-[4-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]phenyl]phenyl]-3,4-dimethyl-N-phenylaniline
CID 137434908
N-(3,4-dimethylphenyl)-N-[4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)-3-methylphenyl]-2-methylphenyl]-3,4-dimethylaniline
CID 18381200
[4-[N-(3,4-dimethylphenyl)-4-(hydroxymethyl)anilino]phenyl]methanol;[4-[4-[4-[4-(hydroxymethyl)-N-[4-(hydroxymethyl)-3-methylphenyl]anilino]phenyl]-N-[4-(hydroxymethyl)-3-methylphenyl]anilino]phenyl]methanol;[4-[4-(hydroxymethyl)-N-(4-phenylphenyl)anilino]phenyl]methanol;3-(N-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]anilino)phenol;3-(N-[4-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]phenyl]anilino)phenol
CID 162220558
N-[4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 123965706
[5-(N-[4-[4-[4-(N-(3-methoxy-4-methylphenyl)anilino)phenyl]phenyl]phenyl]anilino)-2-methylphenyl]methanol
CID 59148672

Frequently Asked Questions

What is the IUPAC name of [2-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol?
The IUPAC name of [2-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol (CID 155273417) is [2-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol.
What is the SMILES notation for [2-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol?
The canonical SMILES for [2-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol is Cc1ccc(N(c2ccc(C)c(C)c2)c2ccccc2CO)cc1C.
What is the InChIKey of [2-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol?
The InChIKey is SSZXOIULDNSPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO/c1-16-9-11-21(13-18(16)3)24(22-12-10-17(2)19(4)14-22)23-8-6-5-7-20(23)15-25/h5-14,25H,15H2,1-4H3.
What are the key properties of [2-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol?
[2-(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 [2-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol is sourced from PubChem (CID 155273417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).