1-(2-chloro-6-fluorophenyl)-N-propylhex-4-yn-2-amine

C15H19ClFN — CID 63022141

IUPAC1-(2-chloro-6-fluorophenyl)-N-propylhex-4-yn-2-amine
SMILESCC#CCC(Cc1c(F)cccc1Cl)NCCC
InChIInChI=1S/C15H19ClFN/c1-3-5-7-12(18-10-4-2)11-13-14(16)8-6-9-15(13)17/h6,8-9,12,18H,4,7,10-11H2,1-2H3
InChIKeyZFGYTJDSMCTHHN-UHFFFAOYSA-N
MW267.77 g/mol
LogP3.80
Rot. Bonds6

About 1-(2-chloro-6-fluorophenyl)-N-propylhex-4-yn-2-amine

1-(2-chloro-6-fluorophenyl)-N-propylhex-4-yn-2-amine (PubChem CID 63022141) has the molecular formula C15H19ClFN and a molecular weight of 267.77 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-propylhex-4-yn-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-propylhex-4-yn-2-amine
PubChem CID63022141
Molecular FormulaC15H19ClFN
Molecular Weight267.77 g/mol
Exact Mass267.12
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-propylhex-4-yn-2-amine
SMILESCC#CCC(Cc1c(F)cccc1Cl)NCCC
InChIInChI=1S/C15H19ClFN/c1-3-5-7-12(18-10-4-2)11-13-14(16)8-6-9-15(13)17/h6,8-9,12,18H,4,7,10-11H2,1-2H3
InChIKeyZFGYTJDSMCTHHN-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.77
LogP ≤ 53.80
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-(2-chloro-6-fluorophenyl)-N-methylhex-4-yn-2-amine
CID 63022661
1-(2-chloro-6-fluorophenyl)-4-methyl-N-propylhexan-2-amine
CID 63419898
1-(2-chloro-6-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 61495709
1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 65131448
1-(2-chloro-6-fluorophenyl)-5-methoxy-N-propylpentan-2-amine
CID 55145614
1-(2-chloro-4-fluorophenyl)-N-propylhex-4-yn-2-amine
CID 63033879
1-(2,4-dichlorophenyl)-N-propylhex-4-yn-2-amine
CID 62309590
N-[2-(2-chloro-6-fluorophenyl)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 43494761
1-(2-chloro-6-fluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine
CID 103556904
1-(2,6-difluorophenyl)-N-propylpent-3-yn-1-amine
CID 79522889
1-(2,6-dichlorophenyl)-4-methyl-N-propylpentan-2-amine
CID 63412621
1-(2-chloro-6-fluorophenyl)-N-ethylheptan-2-amine
CID 63420252

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-propylhex-4-yn-2-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-propylhex-4-yn-2-amine (CID 63022141) is 1-(2-chloro-6-fluorophenyl)-N-propylhex-4-yn-2-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-propylhex-4-yn-2-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-propylhex-4-yn-2-amine is CC#CCC(Cc1c(F)cccc1Cl)NCCC.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-propylhex-4-yn-2-amine?
The InChIKey is ZFGYTJDSMCTHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN/c1-3-5-7-12(18-10-4-2)11-13-14(16)8-6-9-15(13)17/h6,8-9,12,18H,4,7,10-11H2,1-2H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-propylhex-4-yn-2-amine?
1-(2-chloro-6-fluorophenyl)-N-propylhex-4-yn-2-amine has a molecular weight of 267.77 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-propylhex-4-yn-2-amine is sourced from PubChem (CID 63022141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).