4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]butan-1-ol

C30H31NO — CID 67358855

IUPAC4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]butan-1-ol
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(CCCCO)cc3)cc2)cc1
InChIInChI=1S/C30H31NO/c1-23-6-16-28(17-7-23)31(29-18-8-24(2)9-19-29)30-20-14-27(15-21-30)26-12-10-25(11-13-26)5-3-4-22-32/h6-21,32H,3-5,22H2,1-2H3
InChIKeyXEAUYSZMILZAIP-UHFFFAOYSA-N
MW421.58 g/mol
LogP7.76
Rot. Bonds8

About 4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]butan-1-ol

4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]butan-1-ol (PubChem CID 67358855) has the molecular formula C30H31NO and a molecular weight of 421.58 g/mol. Its IUPAC name is 4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]butan-1-ol.

Molecular Properties

Compound Name4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]butan-1-ol
PubChem CID67358855
Molecular FormulaC30H31NO
Molecular Weight421.58 g/mol
Exact Mass421.24
IUPAC Name4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]butan-1-ol
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(CCCCO)cc3)cc2)cc1
InChIInChI=1S/C30H31NO/c1-23-6-16-28(17-7-23)31(29-18-8-24(2)9-19-29)30-20-14-27(15-21-30)26-12-10-25(11-13-26)5-3-4-22-32/h6-21,32H,3-5,22H2,1-2H3
InChIKeyXEAUYSZMILZAIP-UHFFFAOYSA-N
XLogP7.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.58
LogP ≤ 57.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[4-(N-[4-(6-hydroxyhexyl)phenyl]-4-methylanilino)phenyl]hexan-1-ol
CID 20580260
4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 58789445
2-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]ethanol
CID 20580118
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(4-octylphenyl)benzene-1,4-diamine
CID 58273977
6-[[4-(N-[4-[4-(N-[4-(6-hydroxyhexoxymethyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylanilino)phenyl]methoxy]hexan-1-ol
CID 68881964
4-(4-methylphenyl)butan-1-ol;toluene
CID 70134596
N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline
CID 58250828
N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-butylanilino)phenyl]phenyl]-4-methylaniline
CID 58210318
4-N-(4-butylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(4-propylphenyl)benzene-1,4-diamine
CID 163431487
3-[4-(4-pentylphenyl)phenyl]propan-1-ol
CID 86125819
N-[4-[8-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)octyl]phenyl]-N-[4-[4-(N-[4-[8-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)octyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 58251066
8-[4-(diethylamino)phenyl]octan-1-ol
CID 163869246

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]butan-1-ol?
The IUPAC name of 4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]butan-1-ol (CID 67358855) is 4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]butan-1-ol.
What is the SMILES notation for 4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]butan-1-ol?
The canonical SMILES for 4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]butan-1-ol is Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(CCCCO)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]butan-1-ol?
The InChIKey is XEAUYSZMILZAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO/c1-23-6-16-28(17-7-23)31(29-18-8-24(2)9-19-29)30-20-14-27(15-21-30)26-12-10-25(11-13-26)5-3-4-22-32/h6-21,32H,3-5,22H2,1-2H3.
What are the key properties of 4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]butan-1-ol?
4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]butan-1-ol has a molecular weight of 421.58 g/mol, XLogP of 7.76, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]butan-1-ol is sourced from PubChem (CID 67358855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).