2-(2-chloro-6-methoxyphenyl)cyclopropan-1-amine

C10H12ClNO — CID 104817620

IUPAC2-(2-chloro-6-methoxyphenyl)cyclopropan-1-amine
SMILESCOc1cccc(Cl)c1C1CC1N
InChIInChI=1S/C10H12ClNO/c1-13-9-4-2-3-7(11)10(9)6-5-8(6)12/h2-4,6,8H,5,12H2,1H3
InChIKeyOORPSEGWHZEIRB-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.16
Rot. Bonds2

About 2-(2-chloro-6-methoxyphenyl)cyclopropan-1-amine

2-(2-chloro-6-methoxyphenyl)cyclopropan-1-amine (PubChem CID 104817620) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 2-(2-chloro-6-methoxyphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name2-(2-chloro-6-methoxyphenyl)cyclopropan-1-amine
PubChem CID104817620
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name2-(2-chloro-6-methoxyphenyl)cyclopropan-1-amine
SMILESCOc1cccc(Cl)c1C1CC1N
InChIInChI=1S/C10H12ClNO/c1-13-9-4-2-3-7(11)10(9)6-5-8(6)12/h2-4,6,8H,5,12H2,1H3
InChIKeyOORPSEGWHZEIRB-UHFFFAOYSA-N
XLogP2.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methoxyphenyl)cyclopropan-1-amine?
The IUPAC name of 2-(2-chloro-6-methoxyphenyl)cyclopropan-1-amine (CID 104817620) is 2-(2-chloro-6-methoxyphenyl)cyclopropan-1-amine.
What is the SMILES notation for 2-(2-chloro-6-methoxyphenyl)cyclopropan-1-amine?
The canonical SMILES for 2-(2-chloro-6-methoxyphenyl)cyclopropan-1-amine is COc1cccc(Cl)c1C1CC1N.
What is the InChIKey of 2-(2-chloro-6-methoxyphenyl)cyclopropan-1-amine?
The InChIKey is OORPSEGWHZEIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-13-9-4-2-3-7(11)10(9)6-5-8(6)12/h2-4,6,8H,5,12H2,1H3.
What are the key properties of 2-(2-chloro-6-methoxyphenyl)cyclopropan-1-amine?
2-(2-chloro-6-methoxyphenyl)cyclopropan-1-amine has a molecular weight of 197.66 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methoxyphenyl)cyclopropan-1-amine is sourced from PubChem (CID 104817620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).