2-chloro-1-(2,4-dimethoxyphenyl)ethanamine

C10H14ClNO2 — CID 116937529

IUPAC2-chloro-1-(2,4-dimethoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)CCl)c(OC)c1
InChIInChI=1S/C10H14ClNO2/c1-13-7-3-4-8(9(12)6-11)10(5-7)14-2/h3-5,9H,6,12H2,1-2H3
InChIKeyCHXXRCSOSPQYII-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.94
Rot. Bonds4

About 2-chloro-1-(2,4-dimethoxyphenyl)ethanamine

2-chloro-1-(2,4-dimethoxyphenyl)ethanamine (PubChem CID 116937529) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-chloro-1-(2,4-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-chloro-1-(2,4-dimethoxyphenyl)ethanamine
PubChem CID116937529
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name2-chloro-1-(2,4-dimethoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)CCl)c(OC)c1
InChIInChI=1S/C10H14ClNO2/c1-13-7-3-4-8(9(12)6-11)10(5-7)14-2/h3-5,9H,6,12H2,1-2H3
InChIKeyCHXXRCSOSPQYII-UHFFFAOYSA-N
XLogP1.94
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
(1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171201093
2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride
CID 162344444
4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
CID 116861411
4-amino-4-(2,4-dimethoxyphenyl)butan-2-one
CID 116940526
(1S)-1-(2,4-dimethoxyphenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171312907
(1S)-1-(2,4-dimethoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171220642
methyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride
CID 171246679
ethyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride
CID 171201109
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
3-amino-3-(2,4-dimethoxyphenyl)propanamide
CID 23366621

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2,4-dimethoxyphenyl)ethanamine?
The IUPAC name of 2-chloro-1-(2,4-dimethoxyphenyl)ethanamine (CID 116937529) is 2-chloro-1-(2,4-dimethoxyphenyl)ethanamine.
What is the SMILES notation for 2-chloro-1-(2,4-dimethoxyphenyl)ethanamine?
The canonical SMILES for 2-chloro-1-(2,4-dimethoxyphenyl)ethanamine is COc1ccc(C(N)CCl)c(OC)c1.
What is the InChIKey of 2-chloro-1-(2,4-dimethoxyphenyl)ethanamine?
The InChIKey is CHXXRCSOSPQYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-13-7-3-4-8(9(12)6-11)10(5-7)14-2/h3-5,9H,6,12H2,1-2H3.
What are the key properties of 2-chloro-1-(2,4-dimethoxyphenyl)ethanamine?
2-chloro-1-(2,4-dimethoxyphenyl)ethanamine has a molecular weight of 215.68 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2,4-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 116937529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).