1-[2-(3-chloro-4-methoxyphenyl)cyclopropyl]ethanamine

C12H16ClNO — CID 65022463

IUPAC1-[2-(3-chloro-4-methoxyphenyl)cyclopropyl]ethanamine
SMILESCOc1ccc(C2CC2C(C)N)cc1Cl
InChIInChI=1S/C12H16ClNO/c1-7(14)9-6-10(9)8-3-4-12(15-2)11(13)5-8/h3-5,7,9-10H,6,14H2,1-2H3
InChIKeyVQZGKTTWOFSPKV-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.80
Rot. Bonds3

About 1-[2-(3-chloro-4-methoxyphenyl)cyclopropyl]ethanamine

1-[2-(3-chloro-4-methoxyphenyl)cyclopropyl]ethanamine (PubChem CID 65022463) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-[2-(3-chloro-4-methoxyphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[2-(3-chloro-4-methoxyphenyl)cyclopropyl]ethanamine
PubChem CID65022463
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name1-[2-(3-chloro-4-methoxyphenyl)cyclopropyl]ethanamine
SMILESCOc1ccc(C2CC2C(C)N)cc1Cl
InChIInChI=1S/C12H16ClNO/c1-7(14)9-6-10(9)8-3-4-12(15-2)11(13)5-8/h3-5,7,9-10H,6,14H2,1-2H3
InChIKeyVQZGKTTWOFSPKV-UHFFFAOYSA-N
XLogP2.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[(1S,2S)-2-(3,4-dimethoxyphenyl)cyclopropyl]ethanamine
CID 28912479
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanamine
CID 43150348
(1R)-1-[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine
CID 28912399
(1R)-1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]ethanamine
CID 29079123
(1R)-1-[(1S,2S)-2-(3,5-dimethoxyphenyl)cyclopropyl]ethanamine
CID 29079111
(1R)-1-[(1S,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]ethanol
CID 28912472
(1S)-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 124744909
(1S)-1-[(1R,2R)-2-(2,4,6-trimethoxyphenyl)cyclopropyl]ethanamine
CID 124552560
1-[2-(4-fluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 62122616
(1S)-1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]ethanol
CID 95002839
(1R)-1-[(1S,2S)-2-(3-methylphenyl)cyclopropyl]ethanamine
CID 28912202
5-(3-chloro-4-methoxyphenyl)cyclohexane-1,3-dione
CID 81340530

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-4-methoxyphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[2-(3-chloro-4-methoxyphenyl)cyclopropyl]ethanamine (CID 65022463) is 1-[2-(3-chloro-4-methoxyphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[2-(3-chloro-4-methoxyphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[2-(3-chloro-4-methoxyphenyl)cyclopropyl]ethanamine is COc1ccc(C2CC2C(C)N)cc1Cl.
What is the InChIKey of 1-[2-(3-chloro-4-methoxyphenyl)cyclopropyl]ethanamine?
The InChIKey is VQZGKTTWOFSPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-7(14)9-6-10(9)8-3-4-12(15-2)11(13)5-8/h3-5,7,9-10H,6,14H2,1-2H3.
What are the key properties of 1-[2-(3-chloro-4-methoxyphenyl)cyclopropyl]ethanamine?
1-[2-(3-chloro-4-methoxyphenyl)cyclopropyl]ethanamine has a molecular weight of 225.72 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-4-methoxyphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 65022463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).