N-[[4-(chloromethyl)phenyl]methyl]ethanamine

C10H14ClN — CID 107232930

IUPACN-[[4-(chloromethyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(CCl)cc1
InChIInChI=1S/C10H14ClN/c1-2-12-8-10-5-3-9(7-11)4-6-10/h3-6,12H,2,7-8H2,1H3
InChIKeyTYBGNQUFIMFDGQ-UHFFFAOYSA-N
MW183.68 g/mol
LogP2.53
Rot. Bonds4

About N-[[4-(chloromethyl)phenyl]methyl]ethanamine

N-[[4-(chloromethyl)phenyl]methyl]ethanamine (PubChem CID 107232930) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is N-[[4-(chloromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(chloromethyl)phenyl]methyl]ethanamine
PubChem CID107232930
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC NameN-[[4-(chloromethyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(CCl)cc1
InChIInChI=1S/C10H14ClN/c1-2-12-8-10-5-3-9(7-11)4-6-10/h3-6,12H,2,7-8H2,1H3
InChIKeyTYBGNQUFIMFDGQ-UHFFFAOYSA-N
XLogP2.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 52.53
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-[[4-(chloromethyl)phenyl]methyl]propan-1-amine
CID 107232944
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481
N-benzylethanamine;tris(yttrium)
CID 158198357
N-[[4-(2-phenylethyl)phenyl]methyl]ethanamine
CID 70892466
N-[[4-(chloromethyl)phenyl]methyl]-2-fluoroethanamine
CID 107233064
4-(ethylaminomethyl)benzaldehyde
CID 87956656
N-[[4-(4-propylphenyl)phenyl]methyl]ethanamine
CID 63424945
N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride
CID 17331855
1-[4-(chloromethyl)phenyl]-N-[(3-methylphenyl)methyl]methanamine
CID 107233003
N-benzylethanamine;trimethylsilane
CID 173401135
N'-[(4-chlorophenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215378

Frequently Asked Questions

What is the IUPAC name of N-[[4-(chloromethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(chloromethyl)phenyl]methyl]ethanamine (CID 107232930) is N-[[4-(chloromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(chloromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(chloromethyl)phenyl]methyl]ethanamine is CCNCc1ccc(CCl)cc1.
What is the InChIKey of N-[[4-(chloromethyl)phenyl]methyl]ethanamine?
The InChIKey is TYBGNQUFIMFDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN/c1-2-12-8-10-5-3-9(7-11)4-6-10/h3-6,12H,2,7-8H2,1H3.
What are the key properties of N-[[4-(chloromethyl)phenyl]methyl]ethanamine?
N-[[4-(chloromethyl)phenyl]methyl]ethanamine has a molecular weight of 183.68 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(chloromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 107232930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).