N-benzyl-2-(chloromethyl)aniline

C14H14ClN — CID 15078992

IUPACN-benzyl-2-(chloromethyl)aniline
SMILESClCc1ccccc1NCc1ccccc1
InChIInChI=1S/C14H14ClN/c15-10-13-8-4-5-9-14(13)16-11-12-6-2-1-3-7-12/h1-9,16H,10-11H2
InChIKeyGDNVBRWUMNCWLI-UHFFFAOYSA-N
MW231.73 g/mol
LogP4.04
Rot. Bonds4

About N-benzyl-2-(chloromethyl)aniline

N-benzyl-2-(chloromethyl)aniline (PubChem CID 15078992) has the molecular formula C14H14ClN and a molecular weight of 231.73 g/mol. Its IUPAC name is N-benzyl-2-(chloromethyl)aniline.

Molecular Properties

Compound NameN-benzyl-2-(chloromethyl)aniline
PubChem CID15078992
Molecular FormulaC14H14ClN
Molecular Weight231.73 g/mol
Exact Mass231.08
IUPAC NameN-benzyl-2-(chloromethyl)aniline
SMILESClCc1ccccc1NCc1ccccc1
InChIInChI=1S/C14H14ClN/c15-10-13-8-4-5-9-14(13)16-11-12-6-2-1-3-7-12/h1-9,16H,10-11H2
InChIKeyGDNVBRWUMNCWLI-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 54.04
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

2-(chloromethyl)-N-[(4-methylphenyl)methyl]aniline
CID 65023637
2-(chloromethyl)-N-(pyridin-3-ylmethyl)aniline
CID 65024391
N-benzyl-2-[[3-[[2-(benzylamino)phenyl]methyl]phenyl]methyl]aniline
CID 11525647
N-benzyl-2-(methoxymethyl)aniline
CID 43677932
2-(chloromethyl)-N-[(2,3-dichlorophenyl)methyl]aniline
CID 107309995
1-[2-(benzylamino)phenyl]-3-phenylpropan-2-one
CID 157431999
1-N-benzyl-2-N-[2-(benzylamino)phenyl]benzene-1,2-diamine
CID 59193671
2-(benzylamino)cyclohepta-2,4,6-triene-1-thione
CID 767429
[2-[(4-chlorophenyl)methylamino]phenyl]methanol
CID 14260872
1-N,4-N-dibenzylnaphthalene-1,4-diamine
CID 139621317
N-benzyl-2-[(3S)-3-methyl-4-phenylbutyl]aniline
CID 143175520
[2-(benzylamino)phenyl]methyl acetate
CID 174839989

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(chloromethyl)aniline?
The IUPAC name of N-benzyl-2-(chloromethyl)aniline (CID 15078992) is N-benzyl-2-(chloromethyl)aniline.
What is the SMILES notation for N-benzyl-2-(chloromethyl)aniline?
The canonical SMILES for N-benzyl-2-(chloromethyl)aniline is ClCc1ccccc1NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(chloromethyl)aniline?
The InChIKey is GDNVBRWUMNCWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN/c15-10-13-8-4-5-9-14(13)16-11-12-6-2-1-3-7-12/h1-9,16H,10-11H2.
What are the key properties of N-benzyl-2-(chloromethyl)aniline?
N-benzyl-2-(chloromethyl)aniline has a molecular weight of 231.73 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(chloromethyl)aniline is sourced from PubChem (CID 15078992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).