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

C25H29NO — CID 138519701

IUPACN-(2,2-dimethylpropyl)-4-methoxy-N-[(4-phenylphenyl)methyl]aniline
SMILESCOc1ccc(N(Cc2ccc(-c3ccccc3)cc2)CC(C)(C)C)cc1
InChIInChI=1S/C25H29NO/c1-25(2,3)19-26(23-14-16-24(27-4)17-15-23)18-20-10-12-22(13-11-20)21-8-6-5-7-9-21/h5-17H,18-19H2,1-4H3
InChIKeyGTVQQMIGACKZNC-UHFFFAOYSA-N
MW359.51 g/mol
LogP6.41
Rot. Bonds6

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

N-(2,2-dimethylpropyl)-4-methoxy-N-[(4-phenylphenyl)methyl]aniline (PubChem CID 138519701) has the molecular formula C25H29NO and a molecular weight of 359.51 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-methoxy-N-[(4-phenylphenyl)methyl]aniline.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-methoxy-N-[(4-phenylphenyl)methyl]aniline
PubChem CID138519701
Molecular FormulaC25H29NO
Molecular Weight359.51 g/mol
Exact Mass359.22
IUPAC NameN-(2,2-dimethylpropyl)-4-methoxy-N-[(4-phenylphenyl)methyl]aniline
SMILESCOc1ccc(N(Cc2ccc(-c3ccccc3)cc2)CC(C)(C)C)cc1
InChIInChI=1S/C25H29NO/c1-25(2,3)19-26(23-14-16-24(27-4)17-15-23)18-20-10-12-22(13-11-20)21-8-6-5-7-9-21/h5-17H,18-19H2,1-4H3
InChIKeyGTVQQMIGACKZNC-UHFFFAOYSA-N
XLogP6.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 56.41
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-methoxy-N-(2-methylpropyl)-N-[(4-phenylphenyl)methyl]aniline
CID 154621372
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
N-(2,2-dimethylpropyl)-4-methoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 154621158
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 134791729
N-(1,3-benzodioxol-5-ylmethyl)-N-(2,2-dimethylpropyl)-4-methoxyaniline
CID 154621335
N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline
CID 138518716
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
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
N-benzyl-4-methoxy-N-(trifluoromethyl)aniline
CID 15363788

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-methoxy-N-[(4-phenylphenyl)methyl]aniline?
The IUPAC name of N-(2,2-dimethylpropyl)-4-methoxy-N-[(4-phenylphenyl)methyl]aniline (CID 138519701) is N-(2,2-dimethylpropyl)-4-methoxy-N-[(4-phenylphenyl)methyl]aniline.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-methoxy-N-[(4-phenylphenyl)methyl]aniline?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-methoxy-N-[(4-phenylphenyl)methyl]aniline is COc1ccc(N(Cc2ccc(-c3ccccc3)cc2)CC(C)(C)C)cc1.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-methoxy-N-[(4-phenylphenyl)methyl]aniline?
The InChIKey is GTVQQMIGACKZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO/c1-25(2,3)19-26(23-14-16-24(27-4)17-15-23)18-20-10-12-22(13-11-20)21-8-6-5-7-9-21/h5-17H,18-19H2,1-4H3.
What are the key properties of N-(2,2-dimethylpropyl)-4-methoxy-N-[(4-phenylphenyl)methyl]aniline?
N-(2,2-dimethylpropyl)-4-methoxy-N-[(4-phenylphenyl)methyl]aniline has a molecular weight of 359.51 g/mol, XLogP of 6.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-methoxy-N-[(4-phenylphenyl)methyl]aniline is sourced from PubChem (CID 138519701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).