N-[1-(4-chlorophenyl)propan-2-yl]hex-5-yn-3-amine

C15H20ClN — CID 103910959

IUPACN-[1-(4-chlorophenyl)propan-2-yl]hex-5-yn-3-amine
SMILESC#CCC(CC)NC(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN/c1-4-6-15(5-2)17-12(3)11-13-7-9-14(16)10-8-13/h1,7-10,12,15,17H,5-6,11H2,2-3H3
InChIKeyOZRTYJXZYYQTPC-UHFFFAOYSA-N
MW249.79 g/mol
LogP3.66
Rot. Bonds6

About N-[1-(4-chlorophenyl)propan-2-yl]hex-5-yn-3-amine

N-[1-(4-chlorophenyl)propan-2-yl]hex-5-yn-3-amine (PubChem CID 103910959) has the molecular formula C15H20ClN and a molecular weight of 249.79 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propan-2-yl]hex-5-yn-3-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propan-2-yl]hex-5-yn-3-amine
PubChem CID103910959
Molecular FormulaC15H20ClN
Molecular Weight249.79 g/mol
Exact Mass249.13
IUPAC NameN-[1-(4-chlorophenyl)propan-2-yl]hex-5-yn-3-amine
SMILESC#CCC(CC)NC(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN/c1-4-6-15(5-2)17-12(3)11-13-7-9-14(16)10-8-13/h1,7-10,12,15,17H,5-6,11H2,2-3H3
InChIKeyOZRTYJXZYYQTPC-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.79
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

N-[1-(4-chlorophenyl)propan-2-yl]pent-4-yn-2-amine
CID 103911051
1-(4-chlorophenyl)-N-methylpent-4-yn-2-amine
CID 62235146
N-[1-(3-fluorophenyl)propan-2-yl]hex-5-yn-3-amine
CID 113262082
3-[1-(4-hydroxyphenyl)propan-2-ylamino]pentanenitrile
CID 113322888
3-[1-(4-fluorophenyl)propan-2-ylamino]pentanenitrile
CID 55142071
5-chloro-N-hex-5-yn-3-ylpyridin-2-amine
CID 115658807
N-pent-4-yn-2-ylpentan-3-amine
CID 115725330
N-(1,3-diphenylpropan-2-yl)pent-4-yn-2-amine
CID 104716082
N-[1-(4-chlorophenyl)propan-2-yl]-2-methylbutan-1-amine
CID 43677577
N-[1-(4-chlorophenyl)propan-2-yl]but-3-en-2-amine
CID 115898593
4-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propyl]phenol
CID 115494470
4-[1-[1-(4-chlorophenyl)propan-2-ylamino]ethyl]benzonitrile
CID 43677704

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]hex-5-yn-3-amine?
The IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]hex-5-yn-3-amine (CID 103910959) is N-[1-(4-chlorophenyl)propan-2-yl]hex-5-yn-3-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)propan-2-yl]hex-5-yn-3-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)propan-2-yl]hex-5-yn-3-amine is C#CCC(CC)NC(C)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propan-2-yl]hex-5-yn-3-amine?
The InChIKey is OZRTYJXZYYQTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN/c1-4-6-15(5-2)17-12(3)11-13-7-9-14(16)10-8-13/h1,7-10,12,15,17H,5-6,11H2,2-3H3.
What are the key properties of N-[1-(4-chlorophenyl)propan-2-yl]hex-5-yn-3-amine?
N-[1-(4-chlorophenyl)propan-2-yl]hex-5-yn-3-amine has a molecular weight of 249.79 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propan-2-yl]hex-5-yn-3-amine is sourced from PubChem (CID 103910959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).