3-bromo-N-[(4-methoxy-3-methylphenyl)methyl]aniline

C15H16BrNO — CID 43762883

IUPAC3-bromo-N-[(4-methoxy-3-methylphenyl)methyl]aniline
SMILESCOc1ccc(CNc2cccc(Br)c2)cc1C
InChIInChI=1S/C15H16BrNO/c1-11-8-12(6-7-15(11)18-2)10-17-14-5-3-4-13(16)9-14/h3-9,17H,10H2,1-2H3
InChIKeyPDCPQJZMZRNVCO-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.38
Rot. Bonds4

About 3-bromo-N-[(4-methoxy-3-methylphenyl)methyl]aniline

3-bromo-N-[(4-methoxy-3-methylphenyl)methyl]aniline (PubChem CID 43762883) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 3-bromo-N-[(4-methoxy-3-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name3-bromo-N-[(4-methoxy-3-methylphenyl)methyl]aniline
PubChem CID43762883
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name3-bromo-N-[(4-methoxy-3-methylphenyl)methyl]aniline
SMILESCOc1ccc(CNc2cccc(Br)c2)cc1C
InChIInChI=1S/C15H16BrNO/c1-11-8-12(6-7-15(11)18-2)10-17-14-5-3-4-13(16)9-14/h3-9,17H,10H2,1-2H3
InChIKeyPDCPQJZMZRNVCO-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

Analyze 3-bromo-N-[(4-methoxy-3-methylphenyl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-methoxy-3-methylphenyl)methylamino]phenol
CID 43771044
N-[(4-methoxy-3-methylphenyl)methyl]-3-propan-2-ylaniline
CID 43769003
3-ethoxy-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 60935106
N-[(4-methoxy-3-methylphenyl)methyl]-3-(trifluoromethyl)aniline
CID 43758496
3-bromo-4-fluoro-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 104775863
4-bromo-N-[(4-methoxy-3-methylphenyl)methyl]-3-nitroaniline
CID 79753179
4-[(4-methoxy-3-methylphenyl)methylamino]phenol
CID 43790415
N-[(3-bromophenyl)methyl]-3-ethoxy-4-methoxyaniline
CID 43729850
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 65021575
2,6-dibromo-N-[(4-methoxy-3-methylphenyl)methyl]-4-methylaniline
CID 43773583
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 61059639
N-[(3-bromo-4-methoxyphenyl)methyl]-3-iodoaniline
CID 43229966

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4-methoxy-3-methylphenyl)methyl]aniline?
The IUPAC name of 3-bromo-N-[(4-methoxy-3-methylphenyl)methyl]aniline (CID 43762883) is 3-bromo-N-[(4-methoxy-3-methylphenyl)methyl]aniline.
What is the SMILES notation for 3-bromo-N-[(4-methoxy-3-methylphenyl)methyl]aniline?
The canonical SMILES for 3-bromo-N-[(4-methoxy-3-methylphenyl)methyl]aniline is COc1ccc(CNc2cccc(Br)c2)cc1C.
What is the InChIKey of 3-bromo-N-[(4-methoxy-3-methylphenyl)methyl]aniline?
The InChIKey is PDCPQJZMZRNVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-11-8-12(6-7-15(11)18-2)10-17-14-5-3-4-13(16)9-14/h3-9,17H,10H2,1-2H3.
What are the key properties of 3-bromo-N-[(4-methoxy-3-methylphenyl)methyl]aniline?
3-bromo-N-[(4-methoxy-3-methylphenyl)methyl]aniline 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 3-bromo-N-[(4-methoxy-3-methylphenyl)methyl]aniline is sourced from PubChem (CID 43762883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).