3-(3-chloro-4,5-dimethoxyphenyl)propan-1-amine

C11H16ClNO2 — CID 82161696

IUPAC3-(3-chloro-4,5-dimethoxyphenyl)propan-1-amine
SMILESCOc1cc(CCCN)cc(Cl)c1OC
InChIInChI=1S/C11H16ClNO2/c1-14-10-7-8(4-3-5-13)6-9(12)11(10)15-2/h6-7H,3-5,13H2,1-2H3
InChIKeyMXHBETLAKXWDIA-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.25
Rot. Bonds5

About 3-(3-chloro-4,5-dimethoxyphenyl)propan-1-amine

3-(3-chloro-4,5-dimethoxyphenyl)propan-1-amine (PubChem CID 82161696) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 3-(3-chloro-4,5-dimethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4,5-dimethoxyphenyl)propan-1-amine
PubChem CID82161696
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name3-(3-chloro-4,5-dimethoxyphenyl)propan-1-amine
SMILESCOc1cc(CCCN)cc(Cl)c1OC
InChIInChI=1S/C11H16ClNO2/c1-14-10-7-8(4-3-5-13)6-9(12)11(10)15-2/h6-7H,3-5,13H2,1-2H3
InChIKeyMXHBETLAKXWDIA-UHFFFAOYSA-N
XLogP2.25
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-4-methoxy-5-methylphenyl)propan-1-amine
CID 84783186
3-(3-bromo-4,5-dimethoxyphenyl)propan-1-amine
CID 83477684
4-(3-chloro-5-methoxy-4-methylphenyl)butan-1-amine
CID 117328078
3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine
CID 117361452
2-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]ethanamine
CID 60906197
4-(3,4-dimethoxy-5-methylsulfanylphenyl)butan-1-amine
CID 117391930
4-(3-chloro-4-methoxy-5-methylsulfonylphenyl)butan-1-amine
CID 117471300
3-(3-chloro-5-fluoro-2-methoxyphenyl)propan-1-amine
CID 83887887
3-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-1-amine
CID 117361455
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
3-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine
CID 117361457
methyl 2-[4-(2-aminoethyl)-2-chloro-6-methoxyphenoxy]acetate
CID 54931047

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4,5-dimethoxyphenyl)propan-1-amine?
The IUPAC name of 3-(3-chloro-4,5-dimethoxyphenyl)propan-1-amine (CID 82161696) is 3-(3-chloro-4,5-dimethoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-chloro-4,5-dimethoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(3-chloro-4,5-dimethoxyphenyl)propan-1-amine is COc1cc(CCCN)cc(Cl)c1OC.
What is the InChIKey of 3-(3-chloro-4,5-dimethoxyphenyl)propan-1-amine?
The InChIKey is MXHBETLAKXWDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-14-10-7-8(4-3-5-13)6-9(12)11(10)15-2/h6-7H,3-5,13H2,1-2H3.
What are the key properties of 3-(3-chloro-4,5-dimethoxyphenyl)propan-1-amine?
3-(3-chloro-4,5-dimethoxyphenyl)propan-1-amine has a molecular weight of 229.71 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4,5-dimethoxyphenyl)propan-1-amine is sourced from PubChem (CID 82161696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).