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

C13H19N — CID 79333753

IUPAC2-ethyl-1-[(3-methylphenyl)methyl]cyclopropan-1-amine
SMILESCCC1CC1(N)Cc1cccc(C)c1
InChIInChI=1S/C13H19N/c1-3-12-9-13(12,14)8-11-6-4-5-10(2)7-11/h4-7,12H,3,8-9,14H2,1-2H3
InChIKeyVTATWQMTSSXSBV-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.66
Rot. Bonds3

About 2-ethyl-1-[(3-methylphenyl)methyl]cyclopropan-1-amine

2-ethyl-1-[(3-methylphenyl)methyl]cyclopropan-1-amine (PubChem CID 79333753) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-ethyl-1-[(3-methylphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-[(3-methylphenyl)methyl]cyclopropan-1-amine
PubChem CID79333753
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-ethyl-1-[(3-methylphenyl)methyl]cyclopropan-1-amine
SMILESCCC1CC1(N)Cc1cccc(C)c1
InChIInChI=1S/C13H19N/c1-3-12-9-13(12,14)8-11-6-4-5-10(2)7-11/h4-7,12H,3,8-9,14H2,1-2H3
InChIKeyVTATWQMTSSXSBV-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(3-methylphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 2-ethyl-1-[(3-methylphenyl)methyl]cyclopropan-1-amine (CID 79333753) is 2-ethyl-1-[(3-methylphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 2-ethyl-1-[(3-methylphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 2-ethyl-1-[(3-methylphenyl)methyl]cyclopropan-1-amine is CCC1CC1(N)Cc1cccc(C)c1.
What is the InChIKey of 2-ethyl-1-[(3-methylphenyl)methyl]cyclopropan-1-amine?
The InChIKey is VTATWQMTSSXSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-3-12-9-13(12,14)8-11-6-4-5-10(2)7-11/h4-7,12H,3,8-9,14H2,1-2H3.
What are the key properties of 2-ethyl-1-[(3-methylphenyl)methyl]cyclopropan-1-amine?
2-ethyl-1-[(3-methylphenyl)methyl]cyclopropan-1-amine has a molecular weight of 189.30 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(3-methylphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 79333753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).