N-[(2,3-dichloro-4-methoxyphenyl)methyl]ethanamine

C10H13Cl2NO — CID 82551134

IUPACN-[(2,3-dichloro-4-methoxyphenyl)methyl]ethanamine
SMILESCCNCc1ccc(OC)c(Cl)c1Cl
InChIInChI=1S/C10H13Cl2NO/c1-3-13-6-7-4-5-8(14-2)10(12)9(7)11/h4-5,13H,3,6H2,1-2H3
InChIKeyZMNAKRKERMIQKQ-UHFFFAOYSA-N
MW234.13 g/mol
LogP3.11
Rot. Bonds4

About N-[(2,3-dichloro-4-methoxyphenyl)methyl]ethanamine

N-[(2,3-dichloro-4-methoxyphenyl)methyl]ethanamine (PubChem CID 82551134) has the molecular formula C10H13Cl2NO and a molecular weight of 234.13 g/mol. Its IUPAC name is N-[(2,3-dichloro-4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,3-dichloro-4-methoxyphenyl)methyl]ethanamine
PubChem CID82551134
Molecular FormulaC10H13Cl2NO
Molecular Weight234.13 g/mol
Exact Mass233.04
IUPAC NameN-[(2,3-dichloro-4-methoxyphenyl)methyl]ethanamine
SMILESCCNCc1ccc(OC)c(Cl)c1Cl
InChIInChI=1S/C10H13Cl2NO/c1-3-13-6-7-4-5-8(14-2)10(12)9(7)11/h4-5,13H,3,6H2,1-2H3
InChIKeyZMNAKRKERMIQKQ-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-dichloro-4-methoxyphenyl)methyl]carbamoyl chloride
CID 115194701
(2,3-dichloro-4-methoxyphenyl)methylcarbamic acid
CID 115170906
N-[(2,3-dichloro-4-methoxyphenyl)methyl]-2-oxoacetamide
CID 115166291
N-(bromomethyl)-2-(2,3-dichloro-4-methoxyphenyl)ethanamine
CID 115262285
N-[(5-iodo-2-methoxyphenyl)methyl]ethanamine
CID 82552100
N-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylethanamine
CID 115259497
2-[(2,3-dichloro-4-methoxyphenyl)methyl]butan-1-ol
CID 116930825
N-[[4-(5-chloro-2-methoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 61034237
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 63626938
1-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-3-methylbutan-2-ol
CID 115630589
N-[(2-chloro-3-methoxyphenyl)methyl]hydroxylamine
CID 117280945
1-(2-chloro-3,4-dimethoxyphenyl)-N-methylmethanamine
CID 63626727

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichloro-4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2,3-dichloro-4-methoxyphenyl)methyl]ethanamine (CID 82551134) is N-[(2,3-dichloro-4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,3-dichloro-4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,3-dichloro-4-methoxyphenyl)methyl]ethanamine is CCNCc1ccc(OC)c(Cl)c1Cl.
What is the InChIKey of N-[(2,3-dichloro-4-methoxyphenyl)methyl]ethanamine?
The InChIKey is ZMNAKRKERMIQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO/c1-3-13-6-7-4-5-8(14-2)10(12)9(7)11/h4-5,13H,3,6H2,1-2H3.
What are the key properties of N-[(2,3-dichloro-4-methoxyphenyl)methyl]ethanamine?
N-[(2,3-dichloro-4-methoxyphenyl)methyl]ethanamine has a molecular weight of 234.13 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichloro-4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 82551134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).