1-(2-chlorophenyl)-N-ethyl-N-methylethanamine

C11H16ClN — CID 126986399

IUPAC1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
SMILESCCN(C)C(C)c1ccccc1Cl
InChIInChI=1S/C11H16ClN/c1-4-13(3)9(2)10-7-5-6-8-11(10)12/h5-9H,4H2,1-3H3
InChIKeyGTPNMVOCYLOMQV-UHFFFAOYSA-N
MW197.71 g/mol
LogP3.35
Rot. Bonds3

About 1-(2-chlorophenyl)-N-ethyl-N-methylethanamine

1-(2-chlorophenyl)-N-ethyl-N-methylethanamine (PubChem CID 126986399) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-ethyl-N-methylethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
PubChem CID126986399
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
SMILESCCN(C)C(C)c1ccccc1Cl
InChIInChI=1S/C11H16ClN/c1-4-13(3)9(2)10-7-5-6-8-11(10)12/h5-9H,4H2,1-3H3
InChIKeyGTPNMVOCYLOMQV-UHFFFAOYSA-N
XLogP3.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-chloroethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984501
N-(2-bromoethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984503
1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 62985590
(1R)-N-ethyl-1-(2-methoxyphenyl)-N-methylethanamine
CID 118327627
1-[1-(2-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62978499
1-N-[1-(2-chlorophenyl)ethyl]-1-N,2-dimethylbutane-1,3-diamine
CID 113416108
[2-[1-[ethyl(methyl)amino]ethyl]phenyl]methanol
CID 23154315
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-ethylacetamide
CID 60505315
6-[1-(2-chlorophenyl)ethyl-methylamino]hexan-1-ol
CID 113251904
N'-[1-(2-chlorophenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 62985212
4-[1-(2-chlorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol
CID 66455427
N-[[2-(aminomethyl)phenyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 62980012

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-ethyl-N-methylethanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-ethyl-N-methylethanamine (CID 126986399) is 1-(2-chlorophenyl)-N-ethyl-N-methylethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-ethyl-N-methylethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-ethyl-N-methylethanamine is CCN(C)C(C)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-ethyl-N-methylethanamine?
The InChIKey is GTPNMVOCYLOMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN/c1-4-13(3)9(2)10-7-5-6-8-11(10)12/h5-9H,4H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-N-ethyl-N-methylethanamine?
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine has a molecular weight of 197.71 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-ethyl-N-methylethanamine is sourced from PubChem (CID 126986399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).