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

C12H18N2 — CID 116961273

IUPAC1-[methylamino-(3-methylphenyl)methyl]cyclopropan-1-amine
SMILESCNC(c1cccc(C)c1)C1(N)CC1
InChIInChI=1S/C12H18N2/c1-9-4-3-5-10(8-9)11(14-2)12(13)6-7-12/h3-5,8,11,14H,6-7,13H2,1-2H3
InChIKeyMZISDDIYUDZRKT-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.75
Rot. Bonds3

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

1-[methylamino-(3-methylphenyl)methyl]cyclopropan-1-amine (PubChem CID 116961273) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-[methylamino-(3-methylphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[methylamino-(3-methylphenyl)methyl]cyclopropan-1-amine
PubChem CID116961273
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-[methylamino-(3-methylphenyl)methyl]cyclopropan-1-amine
SMILESCNC(c1cccc(C)c1)C1(N)CC1
InChIInChI=1S/C12H18N2/c1-9-4-3-5-10(8-9)11(14-2)12(13)6-7-12/h3-5,8,11,14H,6-7,13H2,1-2H3
InChIKeyMZISDDIYUDZRKT-UHFFFAOYSA-N
XLogP1.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(1-methylcyclopentyl)-1-(3-methylphenyl)methanamine
CID 115790477
N-methyl-1-(1-methylcyclohexyl)-1-(3-methylphenyl)methanamine
CID 106829804
N-methyl-1-(3-methylphenyl)-1-(1-phenylcyclopropyl)methanamine
CID 63080920
N-methyl-1-(3-methylphenyl)-1-(1-phenylcyclopentyl)methanamine
CID 63417580
1-[methylamino-(3-methylphenyl)methyl]cyclobutane-1-carbonitrile
CID 116958707
1-[methylamino(pyridin-3-yl)methyl]cyclopropan-1-amine
CID 116961279
methyl 1-[methylamino-(3-methylphenyl)methyl]cyclopropane-1-carboxylate
CID 116959191
1-[(4-chlorophenyl)-(methylamino)methyl]cyclopropan-1-amine
CID 116961162
1-[fluoro-(3-methylphenyl)methyl]cyclopentan-1-amine
CID 105460948
1-[hydrazinyl-(3-methylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 105243818
5-[(1-aminocyclopropyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116961253
1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclopropan-1-amine
CID 116961257

Frequently Asked Questions

What is the IUPAC name of 1-[methylamino-(3-methylphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[methylamino-(3-methylphenyl)methyl]cyclopropan-1-amine (CID 116961273) is 1-[methylamino-(3-methylphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[methylamino-(3-methylphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[methylamino-(3-methylphenyl)methyl]cyclopropan-1-amine is CNC(c1cccc(C)c1)C1(N)CC1.
What is the InChIKey of 1-[methylamino-(3-methylphenyl)methyl]cyclopropan-1-amine?
The InChIKey is MZISDDIYUDZRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9-4-3-5-10(8-9)11(14-2)12(13)6-7-12/h3-5,8,11,14H,6-7,13H2,1-2H3.
What are the key properties of 1-[methylamino-(3-methylphenyl)methyl]cyclopropan-1-amine?
1-[methylamino-(3-methylphenyl)methyl]cyclopropan-1-amine has a molecular weight of 190.29 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methylamino-(3-methylphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 116961273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).