1-[3-(3-chloro-2-fluorophenyl)phenyl]-N-methylcyclopropan-1-amine

C16H15ClFN — CID 172875897

IUPAC1-[3-(3-chloro-2-fluorophenyl)phenyl]-N-methylcyclopropan-1-amine
SMILESCNC1(c2cccc(-c3cccc(Cl)c3F)c2)CC1
InChIInChI=1S/C16H15ClFN/c1-19-16(8-9-16)12-5-2-4-11(10-12)13-6-3-7-14(17)15(13)18/h2-7,10,19H,8-9H2,1H3
InChIKeyLAWNCDZWMMYKPZ-UHFFFAOYSA-N
MW275.75 g/mol
LogP4.35
Rot. Bonds3

About 1-[3-(3-chloro-2-fluorophenyl)phenyl]-N-methylcyclopropan-1-amine

1-[3-(3-chloro-2-fluorophenyl)phenyl]-N-methylcyclopropan-1-amine (PubChem CID 172875897) has the molecular formula C16H15ClFN and a molecular weight of 275.75 g/mol. Its IUPAC name is 1-[3-(3-chloro-2-fluorophenyl)phenyl]-N-methylcyclopropan-1-amine.

Molecular Properties

Compound Name1-[3-(3-chloro-2-fluorophenyl)phenyl]-N-methylcyclopropan-1-amine
PubChem CID172875897
Molecular FormulaC16H15ClFN
Molecular Weight275.75 g/mol
Exact Mass275.09
IUPAC Name1-[3-(3-chloro-2-fluorophenyl)phenyl]-N-methylcyclopropan-1-amine
SMILESCNC1(c2cccc(-c3cccc(Cl)c3F)c2)CC1
InChIInChI=1S/C16H15ClFN/c1-19-16(8-9-16)12-5-2-4-11(10-12)13-6-3-7-14(17)15(13)18/h2-7,10,19H,8-9H2,1H3
InChIKeyLAWNCDZWMMYKPZ-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.75
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chloro-2-fluorophenyl)phenyl]-N-methylcyclopropan-1-amine?
The IUPAC name of 1-[3-(3-chloro-2-fluorophenyl)phenyl]-N-methylcyclopropan-1-amine (CID 172875897) is 1-[3-(3-chloro-2-fluorophenyl)phenyl]-N-methylcyclopropan-1-amine.
What is the SMILES notation for 1-[3-(3-chloro-2-fluorophenyl)phenyl]-N-methylcyclopropan-1-amine?
The canonical SMILES for 1-[3-(3-chloro-2-fluorophenyl)phenyl]-N-methylcyclopropan-1-amine is CNC1(c2cccc(-c3cccc(Cl)c3F)c2)CC1.
What is the InChIKey of 1-[3-(3-chloro-2-fluorophenyl)phenyl]-N-methylcyclopropan-1-amine?
The InChIKey is LAWNCDZWMMYKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN/c1-19-16(8-9-16)12-5-2-4-11(10-12)13-6-3-7-14(17)15(13)18/h2-7,10,19H,8-9H2,1H3.
What are the key properties of 1-[3-(3-chloro-2-fluorophenyl)phenyl]-N-methylcyclopropan-1-amine?
1-[3-(3-chloro-2-fluorophenyl)phenyl]-N-methylcyclopropan-1-amine has a molecular weight of 275.75 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chloro-2-fluorophenyl)phenyl]-N-methylcyclopropan-1-amine is sourced from PubChem (CID 172875897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).