1-[2-(chloromethyl)phenyl]-N,N-dimethylmethanamine

C10H14ClN — CID 14459148

IUPAC1-[2-(chloromethyl)phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccccc1CCl
InChIInChI=1S/C10H14ClN/c1-12(2)8-10-6-4-3-5-9(10)7-11/h3-6H,7-8H2,1-2H3
InChIKeyWUAHQMXLQMKJRQ-UHFFFAOYSA-N
MW183.68 g/mol
LogP2.49
Rot. Bonds3

About 1-[2-(chloromethyl)phenyl]-N,N-dimethylmethanamine

1-[2-(chloromethyl)phenyl]-N,N-dimethylmethanamine (PubChem CID 14459148) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 1-[2-(chloromethyl)phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-(chloromethyl)phenyl]-N,N-dimethylmethanamine
PubChem CID14459148
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name1-[2-(chloromethyl)phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccccc1CCl
InChIInChI=1S/C10H14ClN/c1-12(2)8-10-6-4-3-5-9(10)7-11/h3-6H,7-8H2,1-2H3
InChIKeyWUAHQMXLQMKJRQ-UHFFFAOYSA-N
XLogP2.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[2-(chloromethyl)phenyl]-N,N-dimethylmethanamine 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

1-[2-[[2-[(dimethylamino)methyl]phenyl]methyl]phenyl]-N,N-dimethylmethanamine
CID 167700248
[2-[(dimethylamino)methyl]phenyl]methanamine
CID 4962718
N,N-dimethyl-1-(2-propylphenyl)methanamine
CID 12709346
1-(chloromethyl)-2-ethylbenzene
CID 524243
CID 138974220
CID 138974220
N,N-dimethyl-1-(2-trichlorosilylphenyl)methanamine
CID 15371807
N,N-dimethyl-1-[2-(2-phenylethyl)phenyl]methanamine;hydrochloride
CID 23723131
1-[2-[chloro(methyl)silyl]phenyl]-N,N-dimethylmethanamine
CID 137331040
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,N-dimethylaniline
CID 174458688
Tris(2-((dimethylamino)methyl)phenyl)germane
CID 15772942
hexamagnesium;hexakis([2-[(dimethylamino)methyl]phenyl]azanide)
CID 139241421
N,N-dimethyl-1-(2-octadecylphenyl)methanamine
CID 19374198

Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-(chloromethyl)phenyl]-N,N-dimethylmethanamine (CID 14459148) is 1-[2-(chloromethyl)phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-(chloromethyl)phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-(chloromethyl)phenyl]-N,N-dimethylmethanamine is CN(C)Cc1ccccc1CCl.
What is the InChIKey of 1-[2-(chloromethyl)phenyl]-N,N-dimethylmethanamine?
The InChIKey is WUAHQMXLQMKJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN/c1-12(2)8-10-6-4-3-5-9(10)7-11/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-[2-(chloromethyl)phenyl]-N,N-dimethylmethanamine?
1-[2-(chloromethyl)phenyl]-N,N-dimethylmethanamine has a molecular weight of 183.68 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 14459148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).