3-(4-chloro-3-fluorophenyl)-N,N-dipropylprop-2-yn-1-amine

C15H19ClFN — CID 146002877

IUPAC3-(4-chloro-3-fluorophenyl)-N,N-dipropylprop-2-yn-1-amine
SMILESCCCN(CC#Cc1ccc(Cl)c(F)c1)CCC
InChIInChI=1S/C15H19ClFN/c1-3-9-18(10-4-2)11-5-6-13-7-8-14(16)15(17)12-13/h7-8,12H,3-4,9-11H2,1-2H3
InChIKeyZQAKMIOWROCGLZ-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.95
Rot. Bonds5

About 3-(4-chloro-3-fluorophenyl)-N,N-dipropylprop-2-yn-1-amine

3-(4-chloro-3-fluorophenyl)-N,N-dipropylprop-2-yn-1-amine (PubChem CID 146002877) has the molecular formula C15H19ClFN and a molecular weight of 267.78 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-N,N-dipropylprop-2-yn-1-amine.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-N,N-dipropylprop-2-yn-1-amine
PubChem CID146002877
Molecular FormulaC15H19ClFN
Molecular Weight267.78 g/mol
Exact Mass267.12
IUPAC Name3-(4-chloro-3-fluorophenyl)-N,N-dipropylprop-2-yn-1-amine
SMILESCCCN(CC#Cc1ccc(Cl)c(F)c1)CCC
InChIInChI=1S/C15H19ClFN/c1-3-9-18(10-4-2)11-5-6-13-7-8-14(16)15(17)12-13/h7-8,12H,3-4,9-11H2,1-2H3
InChIKeyZQAKMIOWROCGLZ-UHFFFAOYSA-N
XLogP3.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dichlorophenyl)-N,N-dipropylprop-2-yn-1-amine
CID 146003063
3-(4-chloro-3-fluorophenyl)-N,N-dimethylprop-2-yn-1-amine
CID 130055918
3-(4-chlorophenyl)-N,N-dipropylprop-2-yn-1-amine;hydrochloride
CID 3049689
1-chloro-4-[2-(4-ethoxyphenyl)ethynyl]-2-fluorobenzene
CID 67858430
1-chloro-2-fluoro-4-[2-(4-methylphenyl)ethynyl]benzene
CID 146002871
2-[2-(4-chloro-3-fluorophenyl)ethynyl]-7-pentylphenanthrene
CID 139883309
2-[2-(4-chloro-3-fluorophenyl)ethynyl]-7-heptyl-9,10-dihydrophenanthrene
CID 139883969
3-[[3-(3-chlorophenyl)prop-2-ynyl-propylamino]methyl]phenol
CID 139688363
1-chloro-4-ethyl-2-fluorobenzene;ethane
CID 143692245
4-[3-fluoro-4-[[methyl(propyl)amino]methyl]phenyl]but-3-yn-1-ol
CID 54969597
2-[(4-chloro-3-fluorophenyl)methyl-propylamino]-N'-hydroxyethanimidamide
CID 107881670
2-[(2-chloro-5-fluorophenyl)methyl-propylamino]ethanol
CID 102609322

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-N,N-dipropylprop-2-yn-1-amine?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-N,N-dipropylprop-2-yn-1-amine (CID 146002877) is 3-(4-chloro-3-fluorophenyl)-N,N-dipropylprop-2-yn-1-amine.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-N,N-dipropylprop-2-yn-1-amine?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-N,N-dipropylprop-2-yn-1-amine is CCCN(CC#Cc1ccc(Cl)c(F)c1)CCC.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-N,N-dipropylprop-2-yn-1-amine?
The InChIKey is ZQAKMIOWROCGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN/c1-3-9-18(10-4-2)11-5-6-13-7-8-14(16)15(17)12-13/h7-8,12H,3-4,9-11H2,1-2H3.
What are the key properties of 3-(4-chloro-3-fluorophenyl)-N,N-dipropylprop-2-yn-1-amine?
3-(4-chloro-3-fluorophenyl)-N,N-dipropylprop-2-yn-1-amine has a molecular weight of 267.78 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-N,N-dipropylprop-2-yn-1-amine is sourced from PubChem (CID 146002877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).