1-(3-chlorophenyl)-N-propylhex-5-yn-2-amine

C15H20ClN — CID 55247955

IUPAC1-(3-chlorophenyl)-N-propylhex-5-yn-2-amine
SMILESC#CCCC(Cc1cccc(Cl)c1)NCCC
InChIInChI=1S/C15H20ClN/c1-3-5-9-15(17-10-4-2)12-13-7-6-8-14(16)11-13/h1,6-8,11,15,17H,4-5,9-10,12H2,2H3
InChIKeyAEIUIGNSHXTZTD-UHFFFAOYSA-N
MW249.78 g/mol
LogP3.66
Rot. Bonds7

About 1-(3-chlorophenyl)-N-propylhex-5-yn-2-amine

1-(3-chlorophenyl)-N-propylhex-5-yn-2-amine (PubChem CID 55247955) has the molecular formula C15H20ClN and a molecular weight of 249.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-propylhex-5-yn-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-propylhex-5-yn-2-amine
PubChem CID55247955
Molecular FormulaC15H20ClN
Molecular Weight249.78 g/mol
Exact Mass249.13
IUPAC Name1-(3-chlorophenyl)-N-propylhex-5-yn-2-amine
SMILESC#CCCC(Cc1cccc(Cl)c1)NCCC
InChIInChI=1S/C15H20ClN/c1-3-5-9-15(17-10-4-2)12-13-7-6-8-14(16)11-13/h1,6-8,11,15,17H,4-5,9-10,12H2,2H3
InChIKeyAEIUIGNSHXTZTD-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.78
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-6-methyl-N-propylheptan-2-amine
CID 83162303
1-(3-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine
CID 55187933
1-(3-chlorophenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62691555
1-naphthalen-2-yl-N-propylhex-5-yn-2-amine
CID 105149229
1-(3-chlorophenyl)-5-methoxy-N-propylhexan-2-amine
CID 105085865
1-(3-chlorophenyl)-5-ethoxy-N-propylpentan-2-amine
CID 105086143
1-(3-chlorophenyl)-4-methylidene-N-propylhexan-2-amine
CID 66046965
1-(3-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-2-amine
CID 60817944
1-(3-chlorophenyl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
CID 103546384
1-butan-2-ylsulfanyl-3-(3-chlorophenyl)-N-propylpropan-2-amine
CID 65136450
1-(3-chlorophenyl)-N-methylpent-4-yn-2-amine
CID 62234060
1-(3-chlorophenyl)-N-ethyldecan-2-amine
CID 63412164

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-propylhex-5-yn-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-propylhex-5-yn-2-amine (CID 55247955) is 1-(3-chlorophenyl)-N-propylhex-5-yn-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-propylhex-5-yn-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-propylhex-5-yn-2-amine is C#CCCC(Cc1cccc(Cl)c1)NCCC.
What is the InChIKey of 1-(3-chlorophenyl)-N-propylhex-5-yn-2-amine?
The InChIKey is AEIUIGNSHXTZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN/c1-3-5-9-15(17-10-4-2)12-13-7-6-8-14(16)11-13/h1,6-8,11,15,17H,4-5,9-10,12H2,2H3.
What are the key properties of 1-(3-chlorophenyl)-N-propylhex-5-yn-2-amine?
1-(3-chlorophenyl)-N-propylhex-5-yn-2-amine has a molecular weight of 249.78 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-propylhex-5-yn-2-amine is sourced from PubChem (CID 55247955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).