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

C14H14BrN — CID 66472770

IUPACN-[(4-bromo-3-methylphenyl)methyl]aniline
SMILESCc1cc(CNc2ccccc2)ccc1Br
InChIInChI=1S/C14H14BrN/c1-11-9-12(7-8-14(11)15)10-16-13-5-3-2-4-6-13/h2-9,16H,10H2,1H3
InChIKeyGRGLASPFCFSSDW-UHFFFAOYSA-N
MW276.18 g/mol
LogP4.37
Rot. Bonds3

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

N-[(4-bromo-3-methylphenyl)methyl]aniline (PubChem CID 66472770) has the molecular formula C14H14BrN and a molecular weight of 276.18 g/mol. Its IUPAC name is N-[(4-bromo-3-methylphenyl)methyl]aniline.

Molecular Properties

Compound NameN-[(4-bromo-3-methylphenyl)methyl]aniline
PubChem CID66472770
Molecular FormulaC14H14BrN
Molecular Weight276.18 g/mol
Exact Mass275.03
IUPAC NameN-[(4-bromo-3-methylphenyl)methyl]aniline
SMILESCc1cc(CNc2ccccc2)ccc1Br
InChIInChI=1S/C14H14BrN/c1-11-9-12(7-8-14(11)15)10-16-13-5-3-2-4-6-13/h2-9,16H,10H2,1H3
InChIKeyGRGLASPFCFSSDW-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-3-methylphenyl)methyl]naphthalen-2-amine
CID 66475011
N-[(4-bromo-3-methylphenyl)methyl]-2-methylaniline
CID 66472582
N-[(4-bromo-3-methylphenyl)methyl]-4-methylsulfanylaniline
CID 66472574
1-N-[(4-bromo-3-methylphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 66472389
1-N-[(4-bromo-3-methylphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376211
1-N-[(4-bromo-3-methylphenyl)methyl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 66475010
N-[(4-bromo-3-methylphenyl)methyl]-3,5-dimethoxyaniline
CID 66473576
N-[3-[(4-bromo-3-methylphenyl)methylamino]phenyl]propanamide
CID 66473184
N-[(4-bromo-3-methylphenyl)methyl]-3-pyrrolidin-1-ylaniline
CID 66472010
N-[(4-bromo-3-methylphenyl)methyl]-3-(2H-tetrazol-5-yl)aniline
CID 66474413
2-bromo-4-[(4-bromo-3-methylanilino)methyl]phenol
CID 60962378
4-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-3-methylaniline
CID 63645668

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-methylphenyl)methyl]aniline?
The IUPAC name of N-[(4-bromo-3-methylphenyl)methyl]aniline (CID 66472770) is N-[(4-bromo-3-methylphenyl)methyl]aniline.
What is the SMILES notation for N-[(4-bromo-3-methylphenyl)methyl]aniline?
The canonical SMILES for N-[(4-bromo-3-methylphenyl)methyl]aniline is Cc1cc(CNc2ccccc2)ccc1Br.
What is the InChIKey of N-[(4-bromo-3-methylphenyl)methyl]aniline?
The InChIKey is GRGLASPFCFSSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN/c1-11-9-12(7-8-14(11)15)10-16-13-5-3-2-4-6-13/h2-9,16H,10H2,1H3.
What are the key properties of N-[(4-bromo-3-methylphenyl)methyl]aniline?
N-[(4-bromo-3-methylphenyl)methyl]aniline has a molecular weight of 276.18 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-methylphenyl)methyl]aniline is sourced from PubChem (CID 66472770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).