2-(3-chlorophenoxy)-N-propyloct-7-yn-3-amine

C17H24ClNO — CID 105179486

IUPAC2-(3-chlorophenoxy)-N-propyloct-7-yn-3-amine
SMILESC#CCCCC(NCCC)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C17H24ClNO/c1-4-6-7-11-17(19-12-5-2)14(3)20-16-10-8-9-15(18)13-16/h1,8-10,13-14,17,19H,5-7,11-12H2,2-3H3
InChIKeyAODVNOJXSYLQMY-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.28
Rot. Bonds9

About 2-(3-chlorophenoxy)-N-propyloct-7-yn-3-amine

2-(3-chlorophenoxy)-N-propyloct-7-yn-3-amine (PubChem CID 105179486) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-propyloct-7-yn-3-amine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-propyloct-7-yn-3-amine
PubChem CID105179486
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name2-(3-chlorophenoxy)-N-propyloct-7-yn-3-amine
SMILESC#CCCCC(NCCC)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C17H24ClNO/c1-4-6-7-11-17(19-12-5-2)14(3)20-16-10-8-9-15(18)13-16/h1,8-10,13-14,17,19H,5-7,11-12H2,2-3H3
InChIKeyAODVNOJXSYLQMY-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chlorophenoxy)-5-ethyl-N-propylheptan-3-amine
CID 105176676
2-(3-chlorophenoxy)-5-methyl-N-propylhex-5-en-3-amine
CID 105162926
1-(3-propan-2-yloxyphenyl)-N-propylpent-4-yn-1-amine
CID 115859639
1-(5-chloro-2-fluorophenyl)-N-propylhex-5-yn-1-amine
CID 114886581
3-(3-chlorophenoxy)-N-ethyl-1-propoxybutan-2-amine
CID 105165268
3-(3-chlorophenoxy)-N-ethyl-1-phenylbutan-2-amine
CID 105084432
4-(3-chlorophenoxy)-N-ethyl-1-thiophen-2-ylpentan-3-amine
CID 105150171
1-(3-chlorophenyl)-N-propylhex-5-yn-2-amine
CID 55247955
2-(3-chlorophenoxy)-N-propylpropan-1-amine
CID 62227786
1-(3-chlorophenoxy)-3-ethyl-N-propylpentan-2-amine
CID 105168543
N-[(1R)-1-(3-chlorophenyl)propyl]hex-5-yn-1-amine
CID 99780755
4-(3-chlorophenoxy)-N-ethyl-2-methylpent-1-en-3-amine
CID 105163546

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-propyloct-7-yn-3-amine?
The IUPAC name of 2-(3-chlorophenoxy)-N-propyloct-7-yn-3-amine (CID 105179486) is 2-(3-chlorophenoxy)-N-propyloct-7-yn-3-amine.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-propyloct-7-yn-3-amine?
The canonical SMILES for 2-(3-chlorophenoxy)-N-propyloct-7-yn-3-amine is C#CCCCC(NCCC)C(C)Oc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-propyloct-7-yn-3-amine?
The InChIKey is AODVNOJXSYLQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-4-6-7-11-17(19-12-5-2)14(3)20-16-10-8-9-15(18)13-16/h1,8-10,13-14,17,19H,5-7,11-12H2,2-3H3.
What are the key properties of 2-(3-chlorophenoxy)-N-propyloct-7-yn-3-amine?
2-(3-chlorophenoxy)-N-propyloct-7-yn-3-amine has a molecular weight of 293.84 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-propyloct-7-yn-3-amine is sourced from PubChem (CID 105179486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).