2-(chloromethyl)-N-[(4-methylphenyl)methyl]aniline

C15H16ClN — CID 65023637

IUPAC2-(chloromethyl)-N-[(4-methylphenyl)methyl]aniline
SMILESCc1ccc(CNc2ccccc2CCl)cc1
InChIInChI=1S/C15H16ClN/c1-12-6-8-13(9-7-12)11-17-15-5-3-2-4-14(15)10-16/h2-9,17H,10-11H2,1H3
InChIKeyYVWAXCQPYSYEIY-UHFFFAOYSA-N
MW245.75 g/mol
LogP4.35
Rot. Bonds4

About 2-(chloromethyl)-N-[(4-methylphenyl)methyl]aniline

2-(chloromethyl)-N-[(4-methylphenyl)methyl]aniline (PubChem CID 65023637) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is 2-(chloromethyl)-N-[(4-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-(chloromethyl)-N-[(4-methylphenyl)methyl]aniline
PubChem CID65023637
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC Name2-(chloromethyl)-N-[(4-methylphenyl)methyl]aniline
SMILESCc1ccc(CNc2ccccc2CCl)cc1
InChIInChI=1S/C15H16ClN/c1-12-6-8-13(9-7-12)11-17-15-5-3-2-4-14(15)10-16/h2-9,17H,10-11H2,1H3
InChIKeyYVWAXCQPYSYEIY-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-(chloromethyl)aniline
CID 15078992
2-iodo-N-[(4-methylphenyl)methyl]aniline
CID 28878568
2,6-diethyl-N-[(4-methylphenyl)methyl]aniline
CID 63492108
2-(chloromethyl)-N-(pyridin-3-ylmethyl)aniline
CID 65024391
2-(chloromethyl)-N-[(2,3-dichlorophenyl)methyl]aniline
CID 107309995
2-methyl-N-[(4-methylphenyl)methyl]pyridin-3-amine
CID 79041910
[2-[(4-chlorophenyl)methylamino]phenyl]methanol
CID 14260872
2-methyl-3-N-[(4-methylphenyl)methyl]benzene-1,3-diamine
CID 55146226
3-chloro-2-N,2-N-dimethyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine
CID 43739721
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-methylphenyl)methyl]aniline
CID 43678196
N-benzyl-2-(methoxymethyl)aniline
CID 43677932
4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline
CID 3313778

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-[(4-methylphenyl)methyl]aniline?
The IUPAC name of 2-(chloromethyl)-N-[(4-methylphenyl)methyl]aniline (CID 65023637) is 2-(chloromethyl)-N-[(4-methylphenyl)methyl]aniline.
What is the SMILES notation for 2-(chloromethyl)-N-[(4-methylphenyl)methyl]aniline?
The canonical SMILES for 2-(chloromethyl)-N-[(4-methylphenyl)methyl]aniline is Cc1ccc(CNc2ccccc2CCl)cc1.
What is the InChIKey of 2-(chloromethyl)-N-[(4-methylphenyl)methyl]aniline?
The InChIKey is YVWAXCQPYSYEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN/c1-12-6-8-13(9-7-12)11-17-15-5-3-2-4-14(15)10-16/h2-9,17H,10-11H2,1H3.
What are the key properties of 2-(chloromethyl)-N-[(4-methylphenyl)methyl]aniline?
2-(chloromethyl)-N-[(4-methylphenyl)methyl]aniline has a molecular weight of 245.75 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-[(4-methylphenyl)methyl]aniline is sourced from PubChem (CID 65023637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).