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

C17H25NO — CID 115859639

IUPAC1-(3-propan-2-yloxyphenyl)-N-propylpent-4-yn-1-amine
SMILESC#CCCC(NCCC)c1cccc(OC(C)C)c1
InChIInChI=1S/C17H25NO/c1-5-7-11-17(18-12-6-2)15-9-8-10-16(13-15)19-14(3)4/h1,8-10,13-14,17-18H,6-7,11-12H2,2-4H3
InChIKeyOWOJXFKWAYLZDQ-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.93
Rot. Bonds8

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

1-(3-propan-2-yloxyphenyl)-N-propylpent-4-yn-1-amine (PubChem CID 115859639) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(3-propan-2-yloxyphenyl)-N-propylpent-4-yn-1-amine.

Molecular Properties

Compound Name1-(3-propan-2-yloxyphenyl)-N-propylpent-4-yn-1-amine
PubChem CID115859639
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(3-propan-2-yloxyphenyl)-N-propylpent-4-yn-1-amine
SMILESC#CCCC(NCCC)c1cccc(OC(C)C)c1
InChIInChI=1S/C17H25NO/c1-5-7-11-17(18-12-6-2)15-9-8-10-16(13-15)19-14(3)4/h1,8-10,13-14,17-18H,6-7,11-12H2,2-4H3
InChIKeyOWOJXFKWAYLZDQ-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-propan-2-yloxyphenyl)-2-(propylamino)ethanol
CID 61211137
1-(3-propan-2-yloxyphenyl)-N-propylpent-4-en-1-amine
CID 104987785
3-cyclopropyl-1-(3-propan-2-yloxyphenyl)-N-propylpropan-1-amine
CID 104995268
1-[3-(difluoromethoxy)phenyl]-N-propylbutan-1-amine
CID 114982290
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
1-(4-chloro-3-methylphenyl)-N-propylpent-4-yn-1-amine
CID 115859351
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
N-[1-(3-but-3-en-2-yloxyphenyl)ethyl]propan-1-amine
CID 62389853
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-yn-1-amine?
The IUPAC name of 1-(3-propan-2-yloxyphenyl)-N-propylpent-4-yn-1-amine (CID 115859639) is 1-(3-propan-2-yloxyphenyl)-N-propylpent-4-yn-1-amine.
What is the SMILES notation for 1-(3-propan-2-yloxyphenyl)-N-propylpent-4-yn-1-amine?
The canonical SMILES for 1-(3-propan-2-yloxyphenyl)-N-propylpent-4-yn-1-amine is C#CCCC(NCCC)c1cccc(OC(C)C)c1.
What is the InChIKey of 1-(3-propan-2-yloxyphenyl)-N-propylpent-4-yn-1-amine?
The InChIKey is OWOJXFKWAYLZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-5-7-11-17(18-12-6-2)15-9-8-10-16(13-15)19-14(3)4/h1,8-10,13-14,17-18H,6-7,11-12H2,2-4H3.
What are the key properties of 1-(3-propan-2-yloxyphenyl)-N-propylpent-4-yn-1-amine?
1-(3-propan-2-yloxyphenyl)-N-propylpent-4-yn-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.93, 8 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-yn-1-amine is sourced from PubChem (CID 115859639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).