3-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-amine

C10H13Cl2NO — CID 116937731

IUPAC3-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(C(N)CCCl)c(Cl)c1
InChIInChI=1S/C10H13Cl2NO/c1-14-7-2-3-8(9(12)6-7)10(13)4-5-11/h2-3,6,10H,4-5,13H2,1H3
InChIKeyMWVJLSGPEXPGGZ-UHFFFAOYSA-N
MW234.13 g/mol
LogP2.98
Rot. Bonds4

About 3-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-amine

3-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-amine (PubChem CID 116937731) has the molecular formula C10H13Cl2NO and a molecular weight of 234.13 g/mol. Its IUPAC name is 3-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-amine
PubChem CID116937731
Molecular FormulaC10H13Cl2NO
Molecular Weight234.13 g/mol
Exact Mass233.04
IUPAC Name3-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(C(N)CCCl)c(Cl)c1
InChIInChI=1S/C10H13Cl2NO/c1-14-7-2-3-8(9(12)6-7)10(13)4-5-11/h2-3,6,10H,4-5,13H2,1H3
InChIKeyMWVJLSGPEXPGGZ-UHFFFAOYSA-N
XLogP2.98
TPSA35.25 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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-3-(2-chloro-4-methoxyphenyl)propan-1-ol
CID 82284820
(2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol
CID 66514098
(2-chloro-4-methoxyphenyl)methanediamine
CID 116939187
1-(2-chloro-4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207413
(3R)-3-amino-3-(2-chloro-4-methoxyphenyl)propanenitrile
CID 130644013
chloro-(2-chloro-4-methoxyphenyl)methanamine
CID 116947787
ethyl 6-amino-6-(2-chloro-4-methoxyphenyl)hexanoate
CID 60861847
2-(4-bromophenyl)-1-(2-chloro-4-methoxyphenyl)ethanamine
CID 43561802
1-(2-chloro-4-methoxyphenyl)-2-cyclobutylethanamine
CID 103162998
1-(2-chloro-4-methoxyphenyl)-2-ethylbutan-1-amine
CID 43561758
3-amino-3-(2-chloro-5-methoxyphenyl)propan-1-ol
CID 84681414
1-(2-chloro-4-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 43561856

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-amine?
The IUPAC name of 3-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-amine (CID 116937731) is 3-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-amine?
The canonical SMILES for 3-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-amine is COc1ccc(C(N)CCCl)c(Cl)c1.
What is the InChIKey of 3-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-amine?
The InChIKey is MWVJLSGPEXPGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO/c1-14-7-2-3-8(9(12)6-7)10(13)4-5-11/h2-3,6,10H,4-5,13H2,1H3.
What are the key properties of 3-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-amine?
3-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-amine has a molecular weight of 234.13 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 116937731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).