N-[(3-methylphenyl)methyl]cyclopropanamine

C11H15N — CID 16776498

IUPACN-[(3-methylphenyl)methyl]cyclopropanamine
SMILESCc1cccc(CNC2CC2)c1
InChIInChI=1S/C11H15N/c1-9-3-2-4-10(7-9)8-12-11-5-6-11/h2-4,7,11-12H,5-6,8H2,1H3
InChIKeyLJBFNXZKZYKGFY-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.25
Rot. Bonds3

About N-[(3-methylphenyl)methyl]cyclopropanamine

N-[(3-methylphenyl)methyl]cyclopropanamine (PubChem CID 16776498) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]cyclopropanamine
PubChem CID16776498
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC NameN-[(3-methylphenyl)methyl]cyclopropanamine
SMILESCc1cccc(CNC2CC2)c1
InChIInChI=1S/C11H15N/c1-9-3-2-4-10(7-9)8-12-11-5-6-11/h2-4,7,11-12H,5-6,8H2,1H3
InChIKeyLJBFNXZKZYKGFY-UHFFFAOYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,3S)-3-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 95376410
3,4-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64731806
4-(2-methylbutan-2-yl)-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 28553389
N-[(3-methylphenyl)methyl]cyclopentanamine;oxalic acid
CID 163327213
3,5-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64724021
N-[[3-(3,5-dimethylphenyl)phenyl]methyl]cyclopropanamine
CID 54912714
3-(3-methylphenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634409
N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103560905
N-[(3-methylphenyl)methyl]-3-phenylcyclobutan-1-amine
CID 43632228
trans-(1R,2R)-2-[(3-methylphenyl)methylamino]cyclopentan-1-ol
CID 93382274
3-methoxy-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 104587932
trans-(1R,2R)-2-[(3-methylphenyl)methylamino]cyclohexan-1-ol
CID 93382278

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-methylphenyl)methyl]cyclopropanamine (CID 16776498) is N-[(3-methylphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-methylphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-methylphenyl)methyl]cyclopropanamine is Cc1cccc(CNC2CC2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]cyclopropanamine?
The InChIKey is LJBFNXZKZYKGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-9-3-2-4-10(7-9)8-12-11-5-6-11/h2-4,7,11-12H,5-6,8H2,1H3.
What are the key properties of N-[(3-methylphenyl)methyl]cyclopropanamine?
N-[(3-methylphenyl)methyl]cyclopropanamine has a molecular weight of 161.25 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 16776498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).