N-[2-(4-ethylphenyl)ethyl]cyclopropanamine

C13H19N — CID 62550255

IUPACN-[2-(4-ethylphenyl)ethyl]cyclopropanamine
SMILESCCc1ccc(CCNC2CC2)cc1
InChIInChI=1S/C13H19N/c1-2-11-3-5-12(6-4-11)9-10-14-13-7-8-13/h3-6,13-14H,2,7-10H2,1H3
InChIKeySVBYTGJCHHRWCC-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.54
Rot. Bonds5

About N-[2-(4-ethylphenyl)ethyl]cyclopropanamine

N-[2-(4-ethylphenyl)ethyl]cyclopropanamine (PubChem CID 62550255) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)ethyl]cyclopropanamine
PubChem CID62550255
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-[2-(4-ethylphenyl)ethyl]cyclopropanamine
SMILESCCc1ccc(CCNC2CC2)cc1
InChIInChI=1S/C13H19N/c1-2-11-3-5-12(6-4-11)9-10-14-13-7-8-13/h3-6,13-14H,2,7-10H2,1H3
InChIKeySVBYTGJCHHRWCC-UHFFFAOYSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(4-ethylphenyl)ethyl]cyclopropanamine (CID 62550255) is N-[2-(4-ethylphenyl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-ethylphenyl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-ethylphenyl)ethyl]cyclopropanamine is CCc1ccc(CCNC2CC2)cc1.
What is the InChIKey of N-[2-(4-ethylphenyl)ethyl]cyclopropanamine?
The InChIKey is SVBYTGJCHHRWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-2-11-3-5-12(6-4-11)9-10-14-13-7-8-13/h3-6,13-14H,2,7-10H2,1H3.
What are the key properties of N-[2-(4-ethylphenyl)ethyl]cyclopropanamine?
N-[2-(4-ethylphenyl)ethyl]cyclopropanamine has a molecular weight of 189.30 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)ethyl]cyclopropanamine is sourced from PubChem (CID 62550255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).