1-(3-cyclopropyloxyphenyl)-N-ethyloctan-1-amine

C19H31NO — CID 105051902

IUPAC1-(3-cyclopropyloxyphenyl)-N-ethyloctan-1-amine
SMILESCCCCCCCC(NCC)c1cccc(OC2CC2)c1
InChIInChI=1S/C19H31NO/c1-3-5-6-7-8-12-19(20-4-2)16-10-9-11-18(15-16)21-17-13-14-17/h9-11,15,17,19-20H,3-8,12-14H2,1-2H3
InChIKeyUZHYFDFIJKNCAJ-UHFFFAOYSA-N
MW289.46 g/mol
LogP5.24
Rot. Bonds11

About 1-(3-cyclopropyloxyphenyl)-N-ethyloctan-1-amine

1-(3-cyclopropyloxyphenyl)-N-ethyloctan-1-amine (PubChem CID 105051902) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-(3-cyclopropyloxyphenyl)-N-ethyloctan-1-amine.

Molecular Properties

Compound Name1-(3-cyclopropyloxyphenyl)-N-ethyloctan-1-amine
PubChem CID105051902
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-(3-cyclopropyloxyphenyl)-N-ethyloctan-1-amine
SMILESCCCCCCCC(NCC)c1cccc(OC2CC2)c1
InChIInChI=1S/C19H31NO/c1-3-5-6-7-8-12-19(20-4-2)16-10-9-11-18(15-16)21-17-13-14-17/h9-11,15,17,19-20H,3-8,12-14H2,1-2H3
InChIKeyUZHYFDFIJKNCAJ-UHFFFAOYSA-N
XLogP5.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-cyclopropyloxyphenyl)-N-ethyloctan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 114521865
1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-ethylethanamine
CID 114521821
N-ethyl-1-[3-(trifluoromethoxy)phenyl]heptan-1-amine
CID 115854011
2-cyclopentyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine
CID 105051728
N-ethyl-1-[3-(trifluoromethoxy)phenyl]hexan-1-amine
CID 115854010
1-(3-cyclopropyloxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105051932
1-(3-cyclopropyloxyphenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 103547261
2-tert-butylsulfanyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine
CID 114521755
1-(3-cyclopropyloxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine
CID 114521652
1-(3-ethoxyphenyl)-N-propylheptan-1-amine
CID 63414677
N-ethyl-1-(3-iodophenyl)hexan-1-amine
CID 115837554
(1R)-1-(3-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007530

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyloxyphenyl)-N-ethyloctan-1-amine?
The IUPAC name of 1-(3-cyclopropyloxyphenyl)-N-ethyloctan-1-amine (CID 105051902) is 1-(3-cyclopropyloxyphenyl)-N-ethyloctan-1-amine.
What is the SMILES notation for 1-(3-cyclopropyloxyphenyl)-N-ethyloctan-1-amine?
The canonical SMILES for 1-(3-cyclopropyloxyphenyl)-N-ethyloctan-1-amine is CCCCCCCC(NCC)c1cccc(OC2CC2)c1.
What is the InChIKey of 1-(3-cyclopropyloxyphenyl)-N-ethyloctan-1-amine?
The InChIKey is UZHYFDFIJKNCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-5-6-7-8-12-19(20-4-2)16-10-9-11-18(15-16)21-17-13-14-17/h9-11,15,17,19-20H,3-8,12-14H2,1-2H3.
What are the key properties of 1-(3-cyclopropyloxyphenyl)-N-ethyloctan-1-amine?
1-(3-cyclopropyloxyphenyl)-N-ethyloctan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 5.24, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyloxyphenyl)-N-ethyloctan-1-amine is sourced from PubChem (CID 105051902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).