N-benzyl-3-chloro-4-methylaniline

C14H14ClN — CID 18778604

IUPACN-benzyl-3-chloro-4-methylaniline
SMILESCc1ccc(NCc2ccccc2)cc1Cl
InChIInChI=1S/C14H14ClN/c1-11-7-8-13(9-14(11)15)16-10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3
InChIKeyJDZGZHQXSWELDU-UHFFFAOYSA-N
MW231.73 g/mol
LogP4.26
Rot. Bonds3

About N-benzyl-3-chloro-4-methylaniline

N-benzyl-3-chloro-4-methylaniline (PubChem CID 18778604) has the molecular formula C14H14ClN and a molecular weight of 231.73 g/mol. Its IUPAC name is N-benzyl-3-chloro-4-methylaniline.

Molecular Properties

Compound NameN-benzyl-3-chloro-4-methylaniline
PubChem CID18778604
Molecular FormulaC14H14ClN
Molecular Weight231.73 g/mol
Exact Mass231.08
IUPAC NameN-benzyl-3-chloro-4-methylaniline
SMILESCc1ccc(NCc2ccccc2)cc1Cl
InChIInChI=1S/C14H14ClN/c1-11-7-8-13(9-14(11)15)16-10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3
InChIKeyJDZGZHQXSWELDU-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-N'-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 54807261
3-chloro-4-methyl-N-[[3-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54797591
3-chloro-N-[(3,4-difluorophenyl)methyl]-4-methylaniline
CID 29045125
6-N-benzyl-4-N-(3-chloro-4-methylphenyl)pyrimidine-4,5,6-triamine
CID 22546566
5-(benzylamino)-2-chlorophenol
CID 68679266
5-(benzylamino)-2-chlorobenzenethiol
CID 4713024
N-[(3-chloro-4-methylphenyl)methyl]-4-methylaniline
CID 106816096
3-chloro-4-methyl-N-[(5-phenylthiophen-2-yl)methyl]aniline
CID 43757389
2-[2,6-dichloro-4-[(3-chloro-4-methylanilino)methyl]phenoxy]-N-phenylacetamide
CID 126274683
4-[(3-chloro-4-methylphenyl)methylamino]-2-methylphenol
CID 106817009
N-[(4-butan-2-yloxyphenyl)methyl]-3-chloro-4-methylaniline
CID 54797958
2-chloro-4-[(3-chloro-4-methylphenyl)methylamino]benzonitrile
CID 106816229

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-chloro-4-methylaniline?
The IUPAC name of N-benzyl-3-chloro-4-methylaniline (CID 18778604) is N-benzyl-3-chloro-4-methylaniline.
What is the SMILES notation for N-benzyl-3-chloro-4-methylaniline?
The canonical SMILES for N-benzyl-3-chloro-4-methylaniline is Cc1ccc(NCc2ccccc2)cc1Cl.
What is the InChIKey of N-benzyl-3-chloro-4-methylaniline?
The InChIKey is JDZGZHQXSWELDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN/c1-11-7-8-13(9-14(11)15)16-10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3.
What are the key properties of N-benzyl-3-chloro-4-methylaniline?
N-benzyl-3-chloro-4-methylaniline has a molecular weight of 231.73 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-chloro-4-methylaniline is sourced from PubChem (CID 18778604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).