1-(4-chloro-2,5-difluorophenyl)-N-propylpentan-1-amine

C14H20ClF2N — CID 115833076

IUPAC1-(4-chloro-2,5-difluorophenyl)-N-propylpentan-1-amine
SMILESCCCCC(NCCC)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C14H20ClF2N/c1-3-5-6-14(18-7-4-2)10-8-13(17)11(15)9-12(10)16/h8-9,14,18H,3-7H2,1-2H3
InChIKeyLCJHCOUGBNRALA-UHFFFAOYSA-N
MW275.77 g/mol
LogP4.85
Rot. Bonds7

About 1-(4-chloro-2,5-difluorophenyl)-N-propylpentan-1-amine

1-(4-chloro-2,5-difluorophenyl)-N-propylpentan-1-amine (PubChem CID 115833076) has the molecular formula C14H20ClF2N and a molecular weight of 275.77 g/mol. Its IUPAC name is 1-(4-chloro-2,5-difluorophenyl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-2,5-difluorophenyl)-N-propylpentan-1-amine
PubChem CID115833076
Molecular FormulaC14H20ClF2N
Molecular Weight275.77 g/mol
Exact Mass275.13
IUPAC Name1-(4-chloro-2,5-difluorophenyl)-N-propylpentan-1-amine
SMILESCCCCC(NCCC)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C14H20ClF2N/c1-3-5-6-14(18-7-4-2)10-8-13(17)11(15)9-12(10)16/h8-9,14,18H,3-7H2,1-2H3
InChIKeyLCJHCOUGBNRALA-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.77
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-2,5-difluorophenyl)-N-ethylhexan-1-amine
CID 115837042
N-propyl-1-(2,4,5-trifluorophenyl)hexan-1-amine
CID 103302863
N-propyl-1-(2,4,5-trifluorophenyl)octan-1-amine
CID 103303022
1-(2-chloro-4,5-difluorophenyl)-N-propylbutan-1-amine
CID 107476598
1-(4-bromo-5-chloro-2-fluorophenyl)-N-propylheptan-1-amine
CID 105399125
N-[1-(4-chloro-2,5-difluorophenyl)-2-propoxyethyl]propan-1-amine
CID 105008662
1-(4-chloro-2,5-difluorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115861199
1-(4-chloro-2,5-difluorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105023875
1-(3-chloro-2-fluorophenyl)-N-propylpentan-1-amine
CID 64714891
N-[1-(4-chloro-2,5-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 115841882
N-[1-(4-chloro-2,5-difluorophenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 82771763
1-(4-chloro-2,5-difluorophenyl)-N,5-dimethylhexan-1-amine
CID 105028716

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-N-propylpentan-1-amine?
The IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-N-propylpentan-1-amine (CID 115833076) is 1-(4-chloro-2,5-difluorophenyl)-N-propylpentan-1-amine.
What is the SMILES notation for 1-(4-chloro-2,5-difluorophenyl)-N-propylpentan-1-amine?
The canonical SMILES for 1-(4-chloro-2,5-difluorophenyl)-N-propylpentan-1-amine is CCCCC(NCCC)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2,5-difluorophenyl)-N-propylpentan-1-amine?
The InChIKey is LCJHCOUGBNRALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClF2N/c1-3-5-6-14(18-7-4-2)10-8-13(17)11(15)9-12(10)16/h8-9,14,18H,3-7H2,1-2H3.
What are the key properties of 1-(4-chloro-2,5-difluorophenyl)-N-propylpentan-1-amine?
1-(4-chloro-2,5-difluorophenyl)-N-propylpentan-1-amine has a molecular weight of 275.77 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-difluorophenyl)-N-propylpentan-1-amine is sourced from PubChem (CID 115833076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).