1-[(2-chloro-3-fluoro-4-methylphenyl)methyl]cyclopropan-1-amine

C11H13ClFN — CID 117304677

IUPAC1-[(2-chloro-3-fluoro-4-methylphenyl)methyl]cyclopropan-1-amine
SMILESCc1ccc(CC2(N)CC2)c(Cl)c1F
InChIInChI=1S/C11H13ClFN/c1-7-2-3-8(9(12)10(7)13)6-11(14)4-5-11/h2-3H,4-6,14H2,1H3
InChIKeyIHMMHVRAMXCATI-UHFFFAOYSA-N
MW213.68 g/mol
LogP2.82
Rot. Bonds2

About 1-[(2-chloro-3-fluoro-4-methylphenyl)methyl]cyclopropan-1-amine

1-[(2-chloro-3-fluoro-4-methylphenyl)methyl]cyclopropan-1-amine (PubChem CID 117304677) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is 1-[(2-chloro-3-fluoro-4-methylphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(2-chloro-3-fluoro-4-methylphenyl)methyl]cyclopropan-1-amine
PubChem CID117304677
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name1-[(2-chloro-3-fluoro-4-methylphenyl)methyl]cyclopropan-1-amine
SMILESCc1ccc(CC2(N)CC2)c(Cl)c1F
InChIInChI=1S/C11H13ClFN/c1-7-2-3-8(9(12)10(7)13)6-11(14)4-5-11/h2-3H,4-6,14H2,1H3
InChIKeyIHMMHVRAMXCATI-UHFFFAOYSA-N
XLogP2.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-fluoro-4-methylphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(2-chloro-3-fluoro-4-methylphenyl)methyl]cyclopropan-1-amine (CID 117304677) is 1-[(2-chloro-3-fluoro-4-methylphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(2-chloro-3-fluoro-4-methylphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(2-chloro-3-fluoro-4-methylphenyl)methyl]cyclopropan-1-amine is Cc1ccc(CC2(N)CC2)c(Cl)c1F.
What is the InChIKey of 1-[(2-chloro-3-fluoro-4-methylphenyl)methyl]cyclopropan-1-amine?
The InChIKey is IHMMHVRAMXCATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c1-7-2-3-8(9(12)10(7)13)6-11(14)4-5-11/h2-3H,4-6,14H2,1H3.
What are the key properties of 1-[(2-chloro-3-fluoro-4-methylphenyl)methyl]cyclopropan-1-amine?
1-[(2-chloro-3-fluoro-4-methylphenyl)methyl]cyclopropan-1-amine has a molecular weight of 213.68 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-fluoro-4-methylphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117304677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).