2-(2-chloro-6-methoxyphenyl)-N-methylethanamine

C10H14ClNO — CID 84669164

IUPAC2-(2-chloro-6-methoxyphenyl)-N-methylethanamine
SMILESCNCCc1c(Cl)cccc1OC
InChIInChI=1S/C10H14ClNO/c1-12-7-6-8-9(11)4-3-5-10(8)13-2/h3-5,12H,6-7H2,1-2H3
InChIKeyAPKQNRPSYPEIRW-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.11
Rot. Bonds4

About 2-(2-chloro-6-methoxyphenyl)-N-methylethanamine

2-(2-chloro-6-methoxyphenyl)-N-methylethanamine (PubChem CID 84669164) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-(2-chloro-6-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-methoxyphenyl)-N-methylethanamine
PubChem CID84669164
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-(2-chloro-6-methoxyphenyl)-N-methylethanamine
SMILESCNCCc1c(Cl)cccc1OC
InChIInChI=1S/C10H14ClNO/c1-12-7-6-8-9(11)4-3-5-10(8)13-2/h3-5,12H,6-7H2,1-2H3
InChIKeyAPKQNRPSYPEIRW-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chloro-6-methoxyphenyl)-N-methylpropan-1-amine
CID 84734799
2-(2-methoxy-6-propan-2-yloxyphenyl)-N-methylethanamine
CID 117320466
1-chloro-3-methoxy-2-pentylbenzene
CID 173336348
2-(2-chloro-6-fluorophenyl)-N-methylethanamine
CID 43163676
1-chloro-2-hexyl-3-methoxybenzene
CID 166753940
1-[2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine
CID 55239641
methyl 2-(2-chloro-6-methoxyphenyl)acetate
CID 170997137
2-[2-chloro-6-(2-methoxyphenoxy)phenyl]ethanamine
CID 55238568
2-(2,6-dichloro-4-methoxyphenyl)-N-methylethanamine
CID 84796736
6-N-[(2-chloro-6-methoxyphenyl)methyl]-2-N-methylpyridine-2,6-diamine
CID 103293605
ethyl 3-(2-chloro-6-methoxyphenyl)propanoate
CID 134632461
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(2-chloro-6-methoxyphenyl)-N-methylethanamine (CID 84669164) is 2-(2-chloro-6-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-chloro-6-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-chloro-6-methoxyphenyl)-N-methylethanamine is CNCCc1c(Cl)cccc1OC.
What is the InChIKey of 2-(2-chloro-6-methoxyphenyl)-N-methylethanamine?
The InChIKey is APKQNRPSYPEIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-12-7-6-8-9(11)4-3-5-10(8)13-2/h3-5,12H,6-7H2,1-2H3.
What are the key properties of 2-(2-chloro-6-methoxyphenyl)-N-methylethanamine?
2-(2-chloro-6-methoxyphenyl)-N-methylethanamine has a molecular weight of 199.68 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 84669164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).