1-cyclopropyl-N-ethyl-2-(3-phenylpropoxy)ethanamine

C16H25NO — CID 63908583

IUPAC1-cyclopropyl-N-ethyl-2-(3-phenylpropoxy)ethanamine
SMILESCCNC(COCCCc1ccccc1)C1CC1
InChIInChI=1S/C16H25NO/c1-2-17-16(15-10-11-15)13-18-12-6-9-14-7-4-3-5-8-14/h3-5,7-8,15-17H,2,6,9-13H2,1H3
InChIKeyLBIBXXOMTMQATF-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.02
Rot. Bonds9

About 1-cyclopropyl-N-ethyl-2-(3-phenylpropoxy)ethanamine

1-cyclopropyl-N-ethyl-2-(3-phenylpropoxy)ethanamine (PubChem CID 63908583) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-2-(3-phenylpropoxy)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-2-(3-phenylpropoxy)ethanamine
PubChem CID63908583
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-cyclopropyl-N-ethyl-2-(3-phenylpropoxy)ethanamine
SMILESCCNC(COCCCc1ccccc1)C1CC1
InChIInChI=1S/C16H25NO/c1-2-17-16(15-10-11-15)13-18-12-6-9-14-7-4-3-5-8-14/h3-5,7-8,15-17H,2,6,9-13H2,1H3
InChIKeyLBIBXXOMTMQATF-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(4-ethylcyclohexyl)-4-phenylbutan-1-amine
CID 65394984
N-ethyl-1-(oxan-4-yl)-4-phenylbutan-1-amine
CID 65334608
2-butoxy-1-cyclopentyl-N-ethylethanamine
CID 104749090
1-ethoxy-N-ethyl-7-phenylheptan-4-amine
CID 105139776
1-(6-bicyclo[3.1.0]hexanyl)-N-ethyl-4-phenylbutan-1-amine
CID 115849575
(2R)-1-(3-phenylpropoxy)propan-2-amine
CID 15118942
1-(4-methylcyclohexyl)-4-phenyl-N-propylbutan-1-amine
CID 63415913
1-(3-phenylpropoxy)pentan-2-ol
CID 62042803
1-cyclopropyl-N-ethyl-2-(2-ethylphenoxy)ethanamine
CID 63906895
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-phenylethanamine
CID 65391828
1-cyclopropyl-N-ethyl-2-(4-propoxyphenoxy)ethanamine
CID 63908353
N-ethyl-1-(2-phenylethoxy)pentan-2-amine
CID 114999655

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-2-(3-phenylpropoxy)ethanamine?
The IUPAC name of 1-cyclopropyl-N-ethyl-2-(3-phenylpropoxy)ethanamine (CID 63908583) is 1-cyclopropyl-N-ethyl-2-(3-phenylpropoxy)ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-2-(3-phenylpropoxy)ethanamine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-2-(3-phenylpropoxy)ethanamine is CCNC(COCCCc1ccccc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-2-(3-phenylpropoxy)ethanamine?
The InChIKey is LBIBXXOMTMQATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-17-16(15-10-11-15)13-18-12-6-9-14-7-4-3-5-8-14/h3-5,7-8,15-17H,2,6,9-13H2,1H3.
What are the key properties of 1-cyclopropyl-N-ethyl-2-(3-phenylpropoxy)ethanamine?
1-cyclopropyl-N-ethyl-2-(3-phenylpropoxy)ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-2-(3-phenylpropoxy)ethanamine is sourced from PubChem (CID 63908583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).