2-(4-cyclopropylphenyl)-N-ethylethanamine

C13H19N — CID 79978257

IUPAC2-(4-cyclopropylphenyl)-N-ethylethanamine
SMILESCCNCCc1ccc(C2CC2)cc1
InChIInChI=1S/C13H19N/c1-2-14-10-9-11-3-5-12(6-4-11)13-7-8-13/h3-6,13-14H,2,7-10H2,1H3
InChIKeyWKAJMSZMDFYAGY-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.72
Rot. Bonds5

About 2-(4-cyclopropylphenyl)-N-ethylethanamine

2-(4-cyclopropylphenyl)-N-ethylethanamine (PubChem CID 79978257) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-N-ethylethanamine
PubChem CID79978257
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-(4-cyclopropylphenyl)-N-ethylethanamine
SMILESCCNCCc1ccc(C2CC2)cc1
InChIInChI=1S/C13H19N/c1-2-14-10-9-11-3-5-12(6-4-11)13-7-8-13/h3-6,13-14H,2,7-10H2,1H3
InChIKeyWKAJMSZMDFYAGY-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
2-(4-cyclobutylphenyl)-N-methylethanamine
CID 83829400
1-cyclopropyl-4-ethylbenzene;ethane;methane
CID 176955448
4-(4-propylphenyl)cyclohexane-1-carbaldehyde
CID 86668457
N-[2-(4-piperidin-4-ylphenyl)ethyl]pentan-1-amine
CID 143637882
2,5-bis[4-(4-propylphenyl)cyclohexyl]furan
CID 141384048
1-(4-cyclohexylcyclohexyl)-4-propylbenzene
CID 57093507
2-(4-cyclohexylphenyl)-N-(hydrazinylmethyl)ethanamine
CID 115261089
N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine
CID 105346884
2-(4-chlorophenyl)-N-ethylethanamine;hydrochloride
CID 69026677
N-methyl-2-[4-(thian-4-yl)phenyl]ethanamine
CID 115006067
2-[4-[(3-tert-butylpyrrolidin-1-yl)methyl]phenyl]-N-ethylethanamine
CID 105348247

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-N-ethylethanamine?
The IUPAC name of 2-(4-cyclopropylphenyl)-N-ethylethanamine (CID 79978257) is 2-(4-cyclopropylphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-N-ethylethanamine?
The canonical SMILES for 2-(4-cyclopropylphenyl)-N-ethylethanamine is CCNCCc1ccc(C2CC2)cc1.
What is the InChIKey of 2-(4-cyclopropylphenyl)-N-ethylethanamine?
The InChIKey is WKAJMSZMDFYAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-2-14-10-9-11-3-5-12(6-4-11)13-7-8-13/h3-6,13-14H,2,7-10H2,1H3.
What are the key properties of 2-(4-cyclopropylphenyl)-N-ethylethanamine?
2-(4-cyclopropylphenyl)-N-ethylethanamine has a molecular weight of 189.30 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-N-ethylethanamine is sourced from PubChem (CID 79978257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).