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

C15H23N — CID 103783786

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-2-ethylcyclopropan-1-amine
SMILESCCC1CC1NC(C)c1ccc(C)c(C)c1
InChIInChI=1S/C15H23N/c1-5-13-9-15(13)16-12(4)14-7-6-10(2)11(3)8-14/h6-8,12-13,15-16H,5,9H2,1-4H3
InChIKeyKLLFXJSSQSSNBY-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.75
Rot. Bonds4

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

N-[1-(3,4-dimethylphenyl)ethyl]-2-ethylcyclopropan-1-amine (PubChem CID 103783786) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-2-ethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-2-ethylcyclopropan-1-amine
PubChem CID103783786
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-2-ethylcyclopropan-1-amine
SMILESCCC1CC1NC(C)c1ccc(C)c(C)c1
InChIInChI=1S/C15H23N/c1-5-13-9-15(13)16-12(4)14-7-6-10(2)11(3)8-14/h6-8,12-13,15-16H,5,9H2,1-4H3
InChIKeyKLLFXJSSQSSNBY-UHFFFAOYSA-N
XLogP3.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]cyclopropan-1-amine
CID 103881379
N-[1-(3,4-dimethylphenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43710182
N-[1-(3,4-dimethylphenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358782
2-ethyl-N-[1-(2-methoxyphenyl)ethyl]cyclopropan-1-amine
CID 103783784
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylcyclopropan-1-amine
CID 103902769
N-[1-(3,4-dimethylphenyl)ethyl]-1-propylpiperidin-4-amine
CID 43206708
1-cyclopropyl-N-[1-(3,4-dimethylphenyl)ethyl]propan-2-amine
CID 63989908
4-[1-(3,4-dimethylphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65054628
N-[1-(3-bromothiophen-2-yl)ethyl]-2-ethylcyclopropan-1-amine
CID 103783802
N-[1-(3-fluorophenyl)ethyl]-2-propylcyclopropan-1-amine
CID 115892229
N-[1-(3,4-dimethylphenyl)ethyl]-2,2-difluoroethanamine
CID 115405623
N-[1-(3,4-dimethylphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949868

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2-ethylcyclopropan-1-amine?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2-ethylcyclopropan-1-amine (CID 103783786) is N-[1-(3,4-dimethylphenyl)ethyl]-2-ethylcyclopropan-1-amine.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-2-ethylcyclopropan-1-amine?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-2-ethylcyclopropan-1-amine is CCC1CC1NC(C)c1ccc(C)c(C)c1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-2-ethylcyclopropan-1-amine?
The InChIKey is KLLFXJSSQSSNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-5-13-9-15(13)16-12(4)14-7-6-10(2)11(3)8-14/h6-8,12-13,15-16H,5,9H2,1-4H3.
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-2-ethylcyclopropan-1-amine?
N-[1-(3,4-dimethylphenyl)ethyl]-2-ethylcyclopropan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-2-ethylcyclopropan-1-amine is sourced from PubChem (CID 103783786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).