2-(2,4-dichloro-5-methoxyphenyl)-N-methylethanamine

C10H13Cl2NO — CID 83895894

IUPAC2-(2,4-dichloro-5-methoxyphenyl)-N-methylethanamine
SMILESCNCCc1cc(OC)c(Cl)cc1Cl
InChIInChI=1S/C10H13Cl2NO/c1-13-4-3-7-5-10(14-2)9(12)6-8(7)11/h5-6,13H,3-4H2,1-2H3
InChIKeyGTROVXAZCGFTQT-UHFFFAOYSA-N
MW234.13 g/mol
LogP2.76
Rot. Bonds4

About 2-(2,4-dichloro-5-methoxyphenyl)-N-methylethanamine

2-(2,4-dichloro-5-methoxyphenyl)-N-methylethanamine (PubChem CID 83895894) has the molecular formula C10H13Cl2NO and a molecular weight of 234.13 g/mol. Its IUPAC name is 2-(2,4-dichloro-5-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,4-dichloro-5-methoxyphenyl)-N-methylethanamine
PubChem CID83895894
Molecular FormulaC10H13Cl2NO
Molecular Weight234.13 g/mol
Exact Mass233.04
IUPAC Name2-(2,4-dichloro-5-methoxyphenyl)-N-methylethanamine
SMILESCNCCc1cc(OC)c(Cl)cc1Cl
InChIInChI=1S/C10H13Cl2NO/c1-13-4-3-7-5-10(14-2)9(12)6-8(7)11/h5-6,13H,3-4H2,1-2H3
InChIKeyGTROVXAZCGFTQT-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dimethoxy-2-[2-(methylamino)ethyl]aniline
CID 22439028
N-[2-(2,5-dichloro-4-methoxyphenyl)ethyl]methanesulfonamide
CID 110789595
2-(2,5-dichloro-4-methoxyphenyl)ethylurea
CID 115168522
2-(3-bromo-6-chloro-5-methoxy-1-methylindol-2-yl)-N-methylethanamine
CID 84646347
2-(6-chloro-5-methoxy-1-methylindol-2-yl)-N-methylethanamine
CID 84634763
2-(4-bromo-5-methoxy-2-methylphenyl)-N-methylethanamine
CID 84805815
4-methoxy-2,3-dimethyl-6-[2-(methylamino)ethyl]phenol
CID 117299085
6-methoxy-2,3-dimethyl-4-[2-(methylamino)ethyl]phenol
CID 117299082
2-(5-chloro-2,3-dimethoxy-4-methylphenyl)-N-methylethanamine
CID 117361566
2,6-difluoro-3-methoxy-5-[2-(methylamino)ethyl]phenol
CID 117309032
2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-methylethanamine
CID 117364649
2-(6-chloro-5,8-dimethoxy-2-methylquinolin-3-yl)-N-methylethanamine
CID 82251405

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-5-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(2,4-dichloro-5-methoxyphenyl)-N-methylethanamine (CID 83895894) is 2-(2,4-dichloro-5-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2,4-dichloro-5-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2,4-dichloro-5-methoxyphenyl)-N-methylethanamine is CNCCc1cc(OC)c(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichloro-5-methoxyphenyl)-N-methylethanamine?
The InChIKey is GTROVXAZCGFTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO/c1-13-4-3-7-5-10(14-2)9(12)6-8(7)11/h5-6,13H,3-4H2,1-2H3.
What are the key properties of 2-(2,4-dichloro-5-methoxyphenyl)-N-methylethanamine?
2-(2,4-dichloro-5-methoxyphenyl)-N-methylethanamine has a molecular weight of 234.13 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-5-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 83895894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).