1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanamine

C11H13Cl2N — CID 43150348

IUPAC1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanamine
SMILESCC(N)C1CC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2N/c1-6(14)8-5-9(8)7-2-3-10(12)11(13)4-7/h2-4,6,8-9H,5,14H2,1H3
InChIKeyMJQIECYQQZPMMJ-UHFFFAOYSA-N
MW230.14 g/mol
LogP3.44
Rot. Bonds2

About 1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanamine

1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanamine (PubChem CID 43150348) has the molecular formula C11H13Cl2N and a molecular weight of 230.14 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanamine
PubChem CID43150348
Molecular FormulaC11H13Cl2N
Molecular Weight230.14 g/mol
Exact Mass229.04
IUPAC Name1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanamine
SMILESCC(N)C1CC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2N/c1-6(14)8-5-9(8)7-2-3-10(12)11(13)4-7/h2-4,6,8-9H,5,14H2,1H3
InChIKeyMJQIECYQQZPMMJ-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(3-chloro-4-methoxyphenyl)cyclopropyl]ethanamine
CID 65022463
(1S)-1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]ethanol
CID 95002839
1-[2-(4-fluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 62122616
(1R)-1-[(1S,2S)-2-(3,4-dimethoxyphenyl)cyclopropyl]ethanamine
CID 28912479
(1S)-1-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]ethanamine
CID 28912438
(1R)-1-[(1S,2S)-2-(3-methylphenyl)cyclopropyl]ethanamine
CID 28912202
1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
CID 57373127
(1R)-1-[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]ethanamine
CID 28912124
(1S)-1-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]ethanamine
CID 29079515
(1R)-1-[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine
CID 28912399
(1S)-1-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanamine
CID 29079331
(1R)-1-[(1S,2S)-2-(3,5-dimethoxyphenyl)cyclopropyl]ethanamine
CID 29079111

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanamine (CID 43150348) is 1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanamine is CC(N)C1CC1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanamine?
The InChIKey is MJQIECYQQZPMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N/c1-6(14)8-5-9(8)7-2-3-10(12)11(13)4-7/h2-4,6,8-9H,5,14H2,1H3.
What are the key properties of 1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanamine?
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanamine has a molecular weight of 230.14 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 43150348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).