4-methoxy-N-(2-methylpropyl)-N-[(4-phenylphenyl)methyl]aniline

C24H27NO — CID 154621372

IUPAC4-methoxy-N-(2-methylpropyl)-N-[(4-phenylphenyl)methyl]aniline
SMILESCOc1ccc(N(Cc2ccc(-c3ccccc3)cc2)CC(C)C)cc1
InChIInChI=1S/C24H27NO/c1-19(2)17-25(23-13-15-24(26-3)16-14-23)18-20-9-11-22(12-10-20)21-7-5-4-6-8-21/h4-16,19H,17-18H2,1-3H3
InChIKeyYDEWNJZWDYMLQZ-UHFFFAOYSA-N
MW345.49 g/mol
LogP6.02
Rot. Bonds7

About 4-methoxy-N-(2-methylpropyl)-N-[(4-phenylphenyl)methyl]aniline

4-methoxy-N-(2-methylpropyl)-N-[(4-phenylphenyl)methyl]aniline (PubChem CID 154621372) has the molecular formula C24H27NO and a molecular weight of 345.49 g/mol. Its IUPAC name is 4-methoxy-N-(2-methylpropyl)-N-[(4-phenylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-(2-methylpropyl)-N-[(4-phenylphenyl)methyl]aniline
PubChem CID154621372
Molecular FormulaC24H27NO
Molecular Weight345.49 g/mol
Exact Mass345.21
IUPAC Name4-methoxy-N-(2-methylpropyl)-N-[(4-phenylphenyl)methyl]aniline
SMILESCOc1ccc(N(Cc2ccc(-c3ccccc3)cc2)CC(C)C)cc1
InChIInChI=1S/C24H27NO/c1-19(2)17-25(23-13-15-24(26-3)16-14-23)18-20-9-11-22(12-10-20)21-7-5-4-6-8-21/h4-16,19H,17-18H2,1-3H3
InChIKeyYDEWNJZWDYMLQZ-UHFFFAOYSA-N
XLogP6.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-iodo-N-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)aniline
CID 154621156
N-(2,2-dimethylpropyl)-4-methoxy-N-[(4-phenylphenyl)methyl]aniline
CID 138519701
4-methoxy-N-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 154621249
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 134791729
N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline
CID 138518716
4-ethoxy-N,N-bis(2-methylpropyl)aniline;4-methoxy-N,N-bis(2-methylpropyl)aniline
CID 161278996
1-(N-benzyl-4-methoxyanilino)-3-(4-fluorophenoxy)propan-2-ol
CID 18204350
4-[4-[N-(4-methoxyphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 90228188
4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 90228198
N-benzyl-N-(2-ethoxyethyl)-4-methoxyaniline
CID 78826514
(4-methoxyphenyl)methyl-[(4-phenylphenyl)methyl]azanium
CID 8636190

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methylpropyl)-N-[(4-phenylphenyl)methyl]aniline?
The IUPAC name of 4-methoxy-N-(2-methylpropyl)-N-[(4-phenylphenyl)methyl]aniline (CID 154621372) is 4-methoxy-N-(2-methylpropyl)-N-[(4-phenylphenyl)methyl]aniline.
What is the SMILES notation for 4-methoxy-N-(2-methylpropyl)-N-[(4-phenylphenyl)methyl]aniline?
The canonical SMILES for 4-methoxy-N-(2-methylpropyl)-N-[(4-phenylphenyl)methyl]aniline is COc1ccc(N(Cc2ccc(-c3ccccc3)cc2)CC(C)C)cc1.
What is the InChIKey of 4-methoxy-N-(2-methylpropyl)-N-[(4-phenylphenyl)methyl]aniline?
The InChIKey is YDEWNJZWDYMLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO/c1-19(2)17-25(23-13-15-24(26-3)16-14-23)18-20-9-11-22(12-10-20)21-7-5-4-6-8-21/h4-16,19H,17-18H2,1-3H3.
What are the key properties of 4-methoxy-N-(2-methylpropyl)-N-[(4-phenylphenyl)methyl]aniline?
4-methoxy-N-(2-methylpropyl)-N-[(4-phenylphenyl)methyl]aniline has a molecular weight of 345.49 g/mol, XLogP of 6.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methylpropyl)-N-[(4-phenylphenyl)methyl]aniline is sourced from PubChem (CID 154621372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).