(2,6-dichloro-3-ethoxyphenyl)methanamine

C9H11Cl2NO — CID 130863445

IUPAC(2,6-dichloro-3-ethoxyphenyl)methanamine
SMILESCCOc1ccc(Cl)c(CN)c1Cl
InChIInChI=1S/C9H11Cl2NO/c1-2-13-8-4-3-7(10)6(5-12)9(8)11/h3-4H,2,5,12H2,1H3
InChIKeyHKOBHOBSCLPFJE-UHFFFAOYSA-N
MW220.10 g/mol
LogP2.85
Rot. Bonds3

About (2,6-dichloro-3-ethoxyphenyl)methanamine

(2,6-dichloro-3-ethoxyphenyl)methanamine (PubChem CID 130863445) has the molecular formula C9H11Cl2NO and a molecular weight of 220.10 g/mol. Its IUPAC name is (2,6-dichloro-3-ethoxyphenyl)methanamine.

Molecular Properties

Compound Name(2,6-dichloro-3-ethoxyphenyl)methanamine
PubChem CID130863445
Molecular FormulaC9H11Cl2NO
Molecular Weight220.10 g/mol
Exact Mass219.02
IUPAC Name(2,6-dichloro-3-ethoxyphenyl)methanamine
SMILESCCOc1ccc(Cl)c(CN)c1Cl
InChIInChI=1S/C9H11Cl2NO/c1-2-13-8-4-3-7(10)6(5-12)9(8)11/h3-4H,2,5,12H2,1H3
InChIKeyHKOBHOBSCLPFJE-UHFFFAOYSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dichloro-4-ethoxy-2-iodobenzene
CID 171008192
(2,6-dichloro-3-ethoxyphenyl)boronic acid
CID 171367474
1-chloro-4-ethoxy-3-fluoro-2-iodobenzene
CID 164894138
6-bromo-2-chloro-3-ethoxyaniline
CID 118418845
[2,6-dichloro-3-(2-methoxyphenyl)phenyl]methanamine
CID 39233250
1-(2,3-dichloro-6-ethoxyphenyl)ethanone
CID 171007787
(2,4,6-triethoxyphenyl)methanamine
CID 95421482
3-chloro-4-ethoxypyridin-2-amine
CID 154642114
2-(3-chloro-4-ethoxyphenoxy)ethanamine
CID 96671591
[2-chloro-6-(2-methoxyethoxy)phenyl]methanamine
CID 28965931
2-[2-(aminomethyl)-3-chlorophenoxy]-N,N-diethylethanamine
CID 62501610
3-(3-chloro-4-ethoxyphenoxy)propan-1-amine
CID 98783905

Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-3-ethoxyphenyl)methanamine?
The IUPAC name of (2,6-dichloro-3-ethoxyphenyl)methanamine (CID 130863445) is (2,6-dichloro-3-ethoxyphenyl)methanamine.
What is the SMILES notation for (2,6-dichloro-3-ethoxyphenyl)methanamine?
The canonical SMILES for (2,6-dichloro-3-ethoxyphenyl)methanamine is CCOc1ccc(Cl)c(CN)c1Cl.
What is the InChIKey of (2,6-dichloro-3-ethoxyphenyl)methanamine?
The InChIKey is HKOBHOBSCLPFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO/c1-2-13-8-4-3-7(10)6(5-12)9(8)11/h3-4H,2,5,12H2,1H3.
What are the key properties of (2,6-dichloro-3-ethoxyphenyl)methanamine?
(2,6-dichloro-3-ethoxyphenyl)methanamine has a molecular weight of 220.10 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-3-ethoxyphenyl)methanamine is sourced from PubChem (CID 130863445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).