1-(3-propan-2-yloxyphenyl)-N-propylpent-4-en-1-amine

C17H27NO — CID 104987785

IUPAC1-(3-propan-2-yloxyphenyl)-N-propylpent-4-en-1-amine
SMILESC=CCCC(NCCC)c1cccc(OC(C)C)c1
InChIInChI=1S/C17H27NO/c1-5-7-11-17(18-12-6-2)15-9-8-10-16(13-15)19-14(3)4/h5,8-10,13-14,17-18H,1,6-7,11-12H2,2-4H3
InChIKeyWNVXQIFUFYTUNV-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.48
Rot. Bonds9

About 1-(3-propan-2-yloxyphenyl)-N-propylpent-4-en-1-amine

1-(3-propan-2-yloxyphenyl)-N-propylpent-4-en-1-amine (PubChem CID 104987785) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(3-propan-2-yloxyphenyl)-N-propylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(3-propan-2-yloxyphenyl)-N-propylpent-4-en-1-amine
PubChem CID104987785
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(3-propan-2-yloxyphenyl)-N-propylpent-4-en-1-amine
SMILESC=CCCC(NCCC)c1cccc(OC(C)C)c1
InChIInChI=1S/C17H27NO/c1-5-7-11-17(18-12-6-2)15-9-8-10-16(13-15)19-14(3)4/h5,8-10,13-14,17-18H,1,6-7,11-12H2,2-4H3
InChIKeyWNVXQIFUFYTUNV-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-propan-2-yloxyphenyl)-N-propylpent-4-en-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-propan-2-yloxyphenyl)-N-propylpent-4-yn-1-amine
CID 115859639
2-(3-propan-2-yloxyphenyl)-2-(propylamino)ethanol
CID 61211137
3-cyclopropyl-1-(3-propan-2-yloxyphenyl)-N-propylpropan-1-amine
CID 104995268
1-[3-(difluoromethoxy)phenyl]-N-propylbut-3-en-1-amine
CID 115814659
1-[3-(difluoromethoxy)phenyl]-N-propylbutan-1-amine
CID 114982290
N-[1-(3-but-3-en-2-yloxyphenyl)ethyl]propan-1-amine
CID 62389853
1-[3-(difluoromethoxy)phenyl]-N-propylpentan-1-amine
CID 115832874
1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 60797906
N-[1-[3-(difluoromethoxy)phenyl]-2-propan-2-yloxyethyl]propan-1-amine
CID 105013280
N-ethyl-3-methyl-1-(3-propan-2-yloxyphenyl)hexan-1-amine
CID 115845454
N-[1-(3-propan-2-yloxyphenyl)ethyl]pentan-1-amine
CID 43694615
1-(3-ethoxyphenyl)-4-methoxy-N-propylpentan-1-amine
CID 105173198

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yloxyphenyl)-N-propylpent-4-en-1-amine?
The IUPAC name of 1-(3-propan-2-yloxyphenyl)-N-propylpent-4-en-1-amine (CID 104987785) is 1-(3-propan-2-yloxyphenyl)-N-propylpent-4-en-1-amine.
What is the SMILES notation for 1-(3-propan-2-yloxyphenyl)-N-propylpent-4-en-1-amine?
The canonical SMILES for 1-(3-propan-2-yloxyphenyl)-N-propylpent-4-en-1-amine is C=CCCC(NCCC)c1cccc(OC(C)C)c1.
What is the InChIKey of 1-(3-propan-2-yloxyphenyl)-N-propylpent-4-en-1-amine?
The InChIKey is WNVXQIFUFYTUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-7-11-17(18-12-6-2)15-9-8-10-16(13-15)19-14(3)4/h5,8-10,13-14,17-18H,1,6-7,11-12H2,2-4H3.
What are the key properties of 1-(3-propan-2-yloxyphenyl)-N-propylpent-4-en-1-amine?
1-(3-propan-2-yloxyphenyl)-N-propylpent-4-en-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yloxyphenyl)-N-propylpent-4-en-1-amine is sourced from PubChem (CID 104987785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).