N-[(3-bromo-4-methoxyphenyl)methyl]-4-methylaniline

C15H16BrNO — CID 900364

IUPACN-[(3-bromo-4-methoxyphenyl)methyl]-4-methylaniline
SMILESCOc1ccc(CNc2ccc(C)cc2)cc1Br
InChIInChI=1S/C15H16BrNO/c1-11-3-6-13(7-4-11)17-10-12-5-8-15(18-2)14(16)9-12/h3-9,17H,10H2,1-2H3
InChIKeyJGZCSYSLWDXQDZ-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.38
Rot. Bonds4

About N-[(3-bromo-4-methoxyphenyl)methyl]-4-methylaniline

N-[(3-bromo-4-methoxyphenyl)methyl]-4-methylaniline (PubChem CID 900364) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is N-[(3-bromo-4-methoxyphenyl)methyl]-4-methylaniline.

Molecular Properties

Compound NameN-[(3-bromo-4-methoxyphenyl)methyl]-4-methylaniline
PubChem CID900364
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC NameN-[(3-bromo-4-methoxyphenyl)methyl]-4-methylaniline
SMILESCOc1ccc(CNc2ccc(C)cc2)cc1Br
InChIInChI=1S/C15H16BrNO/c1-11-3-6-13(7-4-11)17-10-12-5-8-15(18-2)14(16)9-12/h3-9,17H,10H2,1-2H3
InChIKeyJGZCSYSLWDXQDZ-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-Methoxybenzyl)aniline
CID 408377
4-bromo-N-(4-methoxybenzyl)aniline
CID 775227
(3,4-Dimethyl-phenyl)-(4-methoxy-benzyl)-amine
CID 775241
[2-(4-Methoxy-phenyl)-ethyl]-p-tolyl-amine
CID 686951
4-Methoxy-N-(4-methoxyphenyl)benzylamine
CID 4131497
N-(4-Fluorophenyl)-4-methoxybenzenemethanamine
CID 4590297
N-(4-Bromophenyl)veratrylamine
CID 766065
(3-Bromo-4-methoxybenzyl)(3-fluorophenyl)amine
CID 784216
4-Methoxy-alpha-((4-methylphenyl)amino)benzeneacetonitrile
CID 3738018
(3-bromo-4-methoxybenzyl)2,3-dihydro-1H-inden-5-ylamine
CID 784093
1-(4-Bromophenyl)-3-(4-methoxybenzyl)thiourea
CID 1322556
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 4788010

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methoxyphenyl)methyl]-4-methylaniline?
The IUPAC name of N-[(3-bromo-4-methoxyphenyl)methyl]-4-methylaniline (CID 900364) is N-[(3-bromo-4-methoxyphenyl)methyl]-4-methylaniline.
What is the SMILES notation for N-[(3-bromo-4-methoxyphenyl)methyl]-4-methylaniline?
The canonical SMILES for N-[(3-bromo-4-methoxyphenyl)methyl]-4-methylaniline is COc1ccc(CNc2ccc(C)cc2)cc1Br.
What is the InChIKey of N-[(3-bromo-4-methoxyphenyl)methyl]-4-methylaniline?
The InChIKey is JGZCSYSLWDXQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-11-3-6-13(7-4-11)17-10-12-5-8-15(18-2)14(16)9-12/h3-9,17H,10H2,1-2H3.
What are the key properties of N-[(3-bromo-4-methoxyphenyl)methyl]-4-methylaniline?
N-[(3-bromo-4-methoxyphenyl)methyl]-4-methylaniline has a molecular weight of 306.20 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methoxyphenyl)methyl]-4-methylaniline is sourced from PubChem (CID 900364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).