N-methyl-1-[3-(3-methylphenyl)phenyl]cyclopropan-1-amine

C17H19N — CID 172875833

IUPACN-methyl-1-[3-(3-methylphenyl)phenyl]cyclopropan-1-amine
SMILESCNC1(c2cccc(-c3cccc(C)c3)c2)CC1
InChIInChI=1S/C17H19N/c1-13-5-3-6-14(11-13)15-7-4-8-16(12-15)17(18-2)9-10-17/h3-8,11-12,18H,9-10H2,1-2H3
InChIKeyMOUXVUZPSGSXNG-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.87
Rot. Bonds3

About N-methyl-1-[3-(3-methylphenyl)phenyl]cyclopropan-1-amine

N-methyl-1-[3-(3-methylphenyl)phenyl]cyclopropan-1-amine (PubChem CID 172875833) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is N-methyl-1-[3-(3-methylphenyl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[3-(3-methylphenyl)phenyl]cyclopropan-1-amine
PubChem CID172875833
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC NameN-methyl-1-[3-(3-methylphenyl)phenyl]cyclopropan-1-amine
SMILESCNC1(c2cccc(-c3cccc(C)c3)c2)CC1
InChIInChI=1S/C17H19N/c1-13-5-3-6-14(11-13)15-7-4-8-16(12-15)17(18-2)9-10-17/h3-8,11-12,18H,9-10H2,1-2H3
InChIKeyMOUXVUZPSGSXNG-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(3-methylphenyl)phenyl]cyclopropan-1-amine?
The IUPAC name of N-methyl-1-[3-(3-methylphenyl)phenyl]cyclopropan-1-amine (CID 172875833) is N-methyl-1-[3-(3-methylphenyl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for N-methyl-1-[3-(3-methylphenyl)phenyl]cyclopropan-1-amine?
The canonical SMILES for N-methyl-1-[3-(3-methylphenyl)phenyl]cyclopropan-1-amine is CNC1(c2cccc(-c3cccc(C)c3)c2)CC1.
What is the InChIKey of N-methyl-1-[3-(3-methylphenyl)phenyl]cyclopropan-1-amine?
The InChIKey is MOUXVUZPSGSXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-13-5-3-6-14(11-13)15-7-4-8-16(12-15)17(18-2)9-10-17/h3-8,11-12,18H,9-10H2,1-2H3.
What are the key properties of N-methyl-1-[3-(3-methylphenyl)phenyl]cyclopropan-1-amine?
N-methyl-1-[3-(3-methylphenyl)phenyl]cyclopropan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(3-methylphenyl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 172875833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).