1-[1-(2-chloro-6-methoxyphenyl)cyclopropyl]ethanamine

C12H16ClNO — CID 117324448

IUPAC1-[1-(2-chloro-6-methoxyphenyl)cyclopropyl]ethanamine
SMILESCOc1cccc(Cl)c1C1(C(C)N)CC1
InChIInChI=1S/C12H16ClNO/c1-8(14)12(6-7-12)11-9(13)4-3-5-10(11)15-2/h3-5,8H,6-7,14H2,1-2H3
InChIKeyXDHHYXBMPYOUKO-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.73
Rot. Bonds3

About 1-[1-(2-chloro-6-methoxyphenyl)cyclopropyl]ethanamine

1-[1-(2-chloro-6-methoxyphenyl)cyclopropyl]ethanamine (PubChem CID 117324448) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-[1-(2-chloro-6-methoxyphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-chloro-6-methoxyphenyl)cyclopropyl]ethanamine
PubChem CID117324448
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name1-[1-(2-chloro-6-methoxyphenyl)cyclopropyl]ethanamine
SMILESCOc1cccc(Cl)c1C1(C(C)N)CC1
InChIInChI=1S/C12H16ClNO/c1-8(14)12(6-7-12)11-9(13)4-3-5-10(11)15-2/h3-5,8H,6-7,14H2,1-2H3
InChIKeyXDHHYXBMPYOUKO-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[2-(1-fluoroethyl)-3-methoxyphenyl]cyclopropyl]ethanamine
CID 117347308
1-[1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117409100
(1S)-1-(2-chloro-6-methoxyphenyl)-2-methylpropan-1-amine
CID 130848215
1-[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117361282
1-[1-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)cyclopropyl]ethanamine
CID 117456418
1-[1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropyl]ethanamine
CID 117327900
1-[1-(5-methoxy-1-methylindol-4-yl)cyclopropyl]ethanamine
CID 117363094
6-[1-(1-aminoethyl)cyclopropyl]-3-chloro-2-methoxyphenol
CID 117356185
2-amino-1-(2-chloro-6-methoxyphenyl)propan-1-ol
CID 84681417
1-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117413676
2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-3-fluorophenol
CID 117331543
1-[1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopropyl]ethanamine
CID 117499649

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chloro-6-methoxyphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(2-chloro-6-methoxyphenyl)cyclopropyl]ethanamine (CID 117324448) is 1-[1-(2-chloro-6-methoxyphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(2-chloro-6-methoxyphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(2-chloro-6-methoxyphenyl)cyclopropyl]ethanamine is COc1cccc(Cl)c1C1(C(C)N)CC1.
What is the InChIKey of 1-[1-(2-chloro-6-methoxyphenyl)cyclopropyl]ethanamine?
The InChIKey is XDHHYXBMPYOUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-8(14)12(6-7-12)11-9(13)4-3-5-10(11)15-2/h3-5,8H,6-7,14H2,1-2H3.
What are the key properties of 1-[1-(2-chloro-6-methoxyphenyl)cyclopropyl]ethanamine?
1-[1-(2-chloro-6-methoxyphenyl)cyclopropyl]ethanamine has a molecular weight of 225.72 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chloro-6-methoxyphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117324448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).