1-[3-(2,5-dichlorophenyl)phenyl]-N-methylcyclopropan-1-amine

C16H15Cl2N — CID 172875891

IUPAC1-[3-(2,5-dichlorophenyl)phenyl]-N-methylcyclopropan-1-amine
SMILESCNC1(c2cccc(-c3cc(Cl)ccc3Cl)c2)CC1
InChIInChI=1S/C16H15Cl2N/c1-19-16(7-8-16)12-4-2-3-11(9-12)14-10-13(17)5-6-15(14)18/h2-6,9-10,19H,7-8H2,1H3
InChIKeyCETOMMPOZHVSPU-UHFFFAOYSA-N
MW292.21 g/mol
LogP4.87
Rot. Bonds3

About 1-[3-(2,5-dichlorophenyl)phenyl]-N-methylcyclopropan-1-amine

1-[3-(2,5-dichlorophenyl)phenyl]-N-methylcyclopropan-1-amine (PubChem CID 172875891) has the molecular formula C16H15Cl2N and a molecular weight of 292.21 g/mol. Its IUPAC name is 1-[3-(2,5-dichlorophenyl)phenyl]-N-methylcyclopropan-1-amine.

Molecular Properties

Compound Name1-[3-(2,5-dichlorophenyl)phenyl]-N-methylcyclopropan-1-amine
PubChem CID172875891
Molecular FormulaC16H15Cl2N
Molecular Weight292.21 g/mol
Exact Mass291.06
IUPAC Name1-[3-(2,5-dichlorophenyl)phenyl]-N-methylcyclopropan-1-amine
SMILESCNC1(c2cccc(-c3cc(Cl)ccc3Cl)c2)CC1
InChIInChI=1S/C16H15Cl2N/c1-19-16(7-8-16)12-4-2-3-11(9-12)14-10-13(17)5-6-15(14)18/h2-6,9-10,19H,7-8H2,1H3
InChIKeyCETOMMPOZHVSPU-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-dichlorophenyl)phenyl]-N-methylcyclopropan-1-amine?
The IUPAC name of 1-[3-(2,5-dichlorophenyl)phenyl]-N-methylcyclopropan-1-amine (CID 172875891) is 1-[3-(2,5-dichlorophenyl)phenyl]-N-methylcyclopropan-1-amine.
What is the SMILES notation for 1-[3-(2,5-dichlorophenyl)phenyl]-N-methylcyclopropan-1-amine?
The canonical SMILES for 1-[3-(2,5-dichlorophenyl)phenyl]-N-methylcyclopropan-1-amine is CNC1(c2cccc(-c3cc(Cl)ccc3Cl)c2)CC1.
What is the InChIKey of 1-[3-(2,5-dichlorophenyl)phenyl]-N-methylcyclopropan-1-amine?
The InChIKey is CETOMMPOZHVSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N/c1-19-16(7-8-16)12-4-2-3-11(9-12)14-10-13(17)5-6-15(14)18/h2-6,9-10,19H,7-8H2,1H3.
What are the key properties of 1-[3-(2,5-dichlorophenyl)phenyl]-N-methylcyclopropan-1-amine?
1-[3-(2,5-dichlorophenyl)phenyl]-N-methylcyclopropan-1-amine has a molecular weight of 292.21 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dichlorophenyl)phenyl]-N-methylcyclopropan-1-amine is sourced from PubChem (CID 172875891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).