1-[2-(3,4-dimethylphenyl)ethyl]cyclopropan-1-amine

C13H19N — CID 83684647

IUPAC1-[2-(3,4-dimethylphenyl)ethyl]cyclopropan-1-amine
SMILESCc1ccc(CCC2(N)CC2)cc1C
InChIInChI=1S/C13H19N/c1-10-3-4-12(9-11(10)2)5-6-13(14)7-8-13/h3-4,9H,5-8,14H2,1-2H3
InChIKeyKOOMHOVUWGYWIX-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.73
Rot. Bonds3

About 1-[2-(3,4-dimethylphenyl)ethyl]cyclopropan-1-amine

1-[2-(3,4-dimethylphenyl)ethyl]cyclopropan-1-amine (PubChem CID 83684647) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylphenyl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(3,4-dimethylphenyl)ethyl]cyclopropan-1-amine
PubChem CID83684647
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-[2-(3,4-dimethylphenyl)ethyl]cyclopropan-1-amine
SMILESCc1ccc(CCC2(N)CC2)cc1C
InChIInChI=1S/C13H19N/c1-10-3-4-12(9-11(10)2)5-6-13(14)7-8-13/h3-4,9H,5-8,14H2,1-2H3
InChIKeyKOOMHOVUWGYWIX-UHFFFAOYSA-N
XLogP2.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-naphthalen-2-ylethyl)cyclopropan-1-amine
CID 23106122
2-[2-(3,4-dimethylphenyl)ethyl]-N-methylthiiran-2-amine
CID 134172754
1-[2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]ethyl]cyclopropan-1-amine
CID 105483075
[4-[2-(1-aminocyclopropyl)ethyl]phenyl]methanol
CID 105445343
2-[4-[2-(1-aminocyclopropyl)ethyl]phenyl]ethanol
CID 105457995
1-[2-(4-fluorophenyl)ethyl]cyclopropan-1-amine
CID 67420694
1-[2-[4-(methoxymethyl)phenyl]ethyl]cyclopropan-1-amine
CID 105457986
1-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine
CID 115256879
2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclohexyl]-N-methylethanamine
CID 65303462
1-[(3,4-dimethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79857689
1-[2-(3-methylfuran-2-yl)ethyl]cyclopropan-1-amine
CID 105432794
1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105460909

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylphenyl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(3,4-dimethylphenyl)ethyl]cyclopropan-1-amine (CID 83684647) is 1-[2-(3,4-dimethylphenyl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(3,4-dimethylphenyl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(3,4-dimethylphenyl)ethyl]cyclopropan-1-amine is Cc1ccc(CCC2(N)CC2)cc1C.
What is the InChIKey of 1-[2-(3,4-dimethylphenyl)ethyl]cyclopropan-1-amine?
The InChIKey is KOOMHOVUWGYWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10-3-4-12(9-11(10)2)5-6-13(14)7-8-13/h3-4,9H,5-8,14H2,1-2H3.
What are the key properties of 1-[2-(3,4-dimethylphenyl)ethyl]cyclopropan-1-amine?
1-[2-(3,4-dimethylphenyl)ethyl]cyclopropan-1-amine has a molecular weight of 189.30 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylphenyl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 83684647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).