1-(2-chlorophenyl)-N-propylpent-4-yn-1-amine

C14H18ClN — CID 63655900

IUPAC1-(2-chlorophenyl)-N-propylpent-4-yn-1-amine
SMILESC#CCCC(NCCC)c1ccccc1Cl
InChIInChI=1S/C14H18ClN/c1-3-5-10-14(16-11-4-2)12-8-6-7-9-13(12)15/h1,6-9,14,16H,4-5,10-11H2,2H3
InChIKeyHMYZNHATLGSIFM-UHFFFAOYSA-N
MW235.76 g/mol
LogP3.79
Rot. Bonds6

About 1-(2-chlorophenyl)-N-propylpent-4-yn-1-amine

1-(2-chlorophenyl)-N-propylpent-4-yn-1-amine (PubChem CID 63655900) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-propylpent-4-yn-1-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-propylpent-4-yn-1-amine
PubChem CID63655900
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC Name1-(2-chlorophenyl)-N-propylpent-4-yn-1-amine
SMILESC#CCCC(NCCC)c1ccccc1Cl
InChIInChI=1S/C14H18ClN/c1-3-5-10-14(16-11-4-2)12-8-6-7-9-13(12)15/h1,6-9,14,16H,4-5,10-11H2,2H3
InChIKeyHMYZNHATLGSIFM-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 53.79
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-chloro-2-methylphenyl)-N-propylpent-4-yn-1-amine
CID 107102355
1-(2-chlorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine
CID 62643771
1-(2-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 105099934
N-[1-(2-chlorophenyl)-2-phenylethyl]propan-1-amine
CID 63412426
1-(2-chlorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031576
1-(2-chlorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)-N-propylpropane-1,3-diamine
CID 63493443
1-(2-chlorophenyl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
CID 103149984
1-(2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63775444
1-(4-chloro-3-methylphenyl)-N-propylpent-4-yn-1-amine
CID 115859351
1-(2-bromo-4-fluorophenyl)-N-propylpent-4-yn-1-amine
CID 115859080
N-propyl-1-thiophen-2-ylpent-4-yn-1-amine
CID 63657512
1-(5-chloro-2-fluorophenyl)-N-propylhex-5-yn-1-amine
CID 114886581

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-propylpent-4-yn-1-amine?
The IUPAC name of 1-(2-chlorophenyl)-N-propylpent-4-yn-1-amine (CID 63655900) is 1-(2-chlorophenyl)-N-propylpent-4-yn-1-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-propylpent-4-yn-1-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N-propylpent-4-yn-1-amine is C#CCCC(NCCC)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-propylpent-4-yn-1-amine?
The InChIKey is HMYZNHATLGSIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN/c1-3-5-10-14(16-11-4-2)12-8-6-7-9-13(12)15/h1,6-9,14,16H,4-5,10-11H2,2H3.
What are the key properties of 1-(2-chlorophenyl)-N-propylpent-4-yn-1-amine?
1-(2-chlorophenyl)-N-propylpent-4-yn-1-amine has a molecular weight of 235.76 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-propylpent-4-yn-1-amine is sourced from PubChem (CID 63655900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).