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

C12H17N — CID 115635136

IUPAC1-methyl-N-[(3-methylphenyl)methyl]cyclopropan-1-amine
SMILESCc1cccc(CNC2(C)CC2)c1
InChIInChI=1S/C12H17N/c1-10-4-3-5-11(8-10)9-13-12(2)6-7-12/h3-5,8,13H,6-7,9H2,1-2H3
InChIKeySVLXXGVPAFEZPK-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.64
Rot. Bonds3

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

1-methyl-N-[(3-methylphenyl)methyl]cyclopropan-1-amine (PubChem CID 115635136) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 1-methyl-N-[(3-methylphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-methyl-N-[(3-methylphenyl)methyl]cyclopropan-1-amine
PubChem CID115635136
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name1-methyl-N-[(3-methylphenyl)methyl]cyclopropan-1-amine
SMILESCc1cccc(CNC2(C)CC2)c1
InChIInChI=1S/C12H17N/c1-10-4-3-5-11(8-10)9-13-12(2)6-7-12/h3-5,8,13H,6-7,9H2,1-2H3
InChIKeySVLXXGVPAFEZPK-UHFFFAOYSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[[(1-methylcyclopropyl)amino]methyl]benzamide
CID 115635058
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclobutan-1-amine
CID 115765833
1-methyl-N-[(4-methylphenyl)methyl]cyclopentan-1-amine
CID 61365748
N-benzyl-1-methylcyclopentan-1-amine;hydrochloride
CID 171397400
3-[[(1-methylcyclobutyl)amino]methyl]benzoic acid
CID 103264825
N-[(4-methyloxan-4-yl)methyl]-1-(3-methylphenyl)methanamine
CID 103743653
1-N,1-N'-bis[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975048
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanamine
CID 103992171
4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]oxan-4-amine
CID 115758041
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(3-methylphenyl)methanamine
CID 115244764
3-[[(4-methyloxan-4-yl)amino]methyl]benzoic acid
CID 103264154

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3-methylphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-methyl-N-[(3-methylphenyl)methyl]cyclopropan-1-amine (CID 115635136) is 1-methyl-N-[(3-methylphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-methyl-N-[(3-methylphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-methyl-N-[(3-methylphenyl)methyl]cyclopropan-1-amine is Cc1cccc(CNC2(C)CC2)c1.
What is the InChIKey of 1-methyl-N-[(3-methylphenyl)methyl]cyclopropan-1-amine?
The InChIKey is SVLXXGVPAFEZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-10-4-3-5-11(8-10)9-13-12(2)6-7-12/h3-5,8,13H,6-7,9H2,1-2H3.
What are the key properties of 1-methyl-N-[(3-methylphenyl)methyl]cyclopropan-1-amine?
1-methyl-N-[(3-methylphenyl)methyl]cyclopropan-1-amine has a molecular weight of 175.27 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3-methylphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 115635136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).