3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpropan-1-amine

C13H20ClN — CID 115215688

IUPAC3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpropan-1-amine
SMILESCCc1ccc(CN(C)CCCCl)cc1
InChIInChI=1S/C13H20ClN/c1-3-12-5-7-13(8-6-12)11-15(2)10-4-9-14/h5-8H,3-4,9-11H2,1-2H3
InChIKeyZMQUKQNYFZOYLF-UHFFFAOYSA-N
MW225.76 g/mol
LogP3.31
Rot. Bonds6

About 3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpropan-1-amine

3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpropan-1-amine (PubChem CID 115215688) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is 3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpropan-1-amine
PubChem CID115215688
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpropan-1-amine
SMILESCCc1ccc(CN(C)CCCCl)cc1
InChIInChI=1S/C13H20ClN/c1-3-12-5-7-13(8-6-12)11-15(2)10-4-9-14/h5-8H,3-4,9-11H2,1-2H3
InChIKeyZMQUKQNYFZOYLF-UHFFFAOYSA-N
XLogP3.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[(4-chlorophenyl)methyl]-N-methylpropan-1-amine
CID 61414656
3-chloro-N-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 115215689
5-[(4-ethylphenyl)methyl-methylamino]pentan-2-one
CID 115236560
3-chloro-N-(furan-3-ylmethyl)-N-methylpropan-1-amine
CID 61422654
3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-N-methylpropan-1-amine
CID 115215694
N-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 138737865
3-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylpropan-1-amine
CID 115215695
4-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]aniline
CID 115212571
3-chloro-N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-N-methylpropan-1-amine
CID 115215710
4-[[(4-ethylphenyl)methyl-methylamino]methyl]aniline
CID 43587265
methyl 3-[(4-ethylphenyl)methyl-methylamino]propanoate
CID 60648146
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpropan-1-amine?
The IUPAC name of 3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpropan-1-amine (CID 115215688) is 3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpropan-1-amine?
The canonical SMILES for 3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpropan-1-amine is CCc1ccc(CN(C)CCCCl)cc1.
What is the InChIKey of 3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpropan-1-amine?
The InChIKey is ZMQUKQNYFZOYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN/c1-3-12-5-7-13(8-6-12)11-15(2)10-4-9-14/h5-8H,3-4,9-11H2,1-2H3.
What are the key properties of 3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpropan-1-amine?
3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpropan-1-amine has a molecular weight of 225.76 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 115215688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).