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

C11H15N — CID 23106077

IUPAC1-[(3-methylphenyl)methyl]cyclopropan-1-amine
SMILESCc1cccc(CC2(N)CC2)c1
InChIInChI=1S/C11H15N/c1-9-3-2-4-10(7-9)8-11(12)5-6-11/h2-4,7H,5-6,8,12H2,1H3
InChIKeyVJIPYCHSUAYUQY-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.03
Rot. Bonds2

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

1-[(3-methylphenyl)methyl]cyclopropan-1-amine (PubChem CID 23106077) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]cyclopropan-1-amine
PubChem CID23106077
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name1-[(3-methylphenyl)methyl]cyclopropan-1-amine
SMILESCc1cccc(CC2(N)CC2)c1
InChIInChI=1S/C11H15N/c1-9-3-2-4-10(7-9)8-11(12)5-6-11/h2-4,7H,5-6,8,12H2,1H3
InChIKeyVJIPYCHSUAYUQY-UHFFFAOYSA-N
XLogP2.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 60799490
3,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64733945
1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086856
2-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 60797418
2-ethyl-1-[(3-methylphenyl)methyl]cyclopropan-1-amine
CID 79333753
1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107430142
[4,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexyl]methanamine
CID 65390376
1-[[methyl-[(3-methylphenyl)methyl]amino]methyl]cyclopentan-1-amine
CID 61411916
N-methyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 82127246
3-fluoro-3-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 112565666
N-methyl-1-[1-[(3-methylphenyl)methyl]cyclopentyl]methanamine
CID 62724183
(3-methylphenyl)methanamine;hydrochloride
CID 18670917

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(3-methylphenyl)methyl]cyclopropan-1-amine (CID 23106077) is 1-[(3-methylphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(3-methylphenyl)methyl]cyclopropan-1-amine is Cc1cccc(CC2(N)CC2)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]cyclopropan-1-amine?
The InChIKey is VJIPYCHSUAYUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-9-3-2-4-10(7-9)8-11(12)5-6-11/h2-4,7H,5-6,8,12H2,1H3.
What are the key properties of 1-[(3-methylphenyl)methyl]cyclopropan-1-amine?
1-[(3-methylphenyl)methyl]cyclopropan-1-amine has a molecular weight of 161.25 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 23106077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).