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

C14H20ClF2N — CID 105028716

IUPAC1-(4-chloro-2,5-difluorophenyl)-N,5-dimethylhexan-1-amine
SMILESCNC(CCCC(C)C)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C14H20ClF2N/c1-9(2)5-4-6-14(18-3)10-7-13(17)11(15)8-12(10)16/h7-9,14,18H,4-6H2,1-3H3
InChIKeyULTSKTGPCBUBRK-UHFFFAOYSA-N
MW275.77 g/mol
LogP4.70
Rot. Bonds6

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

1-(4-chloro-2,5-difluorophenyl)-N,5-dimethylhexan-1-amine (PubChem CID 105028716) 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,5-dimethylhexan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-2,5-difluorophenyl)-N,5-dimethylhexan-1-amine
PubChem CID105028716
Molecular FormulaC14H20ClF2N
Molecular Weight275.77 g/mol
Exact Mass275.13
IUPAC Name1-(4-chloro-2,5-difluorophenyl)-N,5-dimethylhexan-1-amine
SMILESCNC(CCCC(C)C)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C14H20ClF2N/c1-9(2)5-4-6-14(18-3)10-7-13(17)11(15)8-12(10)16/h7-9,14,18H,4-6H2,1-3H3
InChIKeyULTSKTGPCBUBRK-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.77
LogP ≤ 54.70
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-propylpentan-1-amine
CID 115833076
1-(4-chloro-2,5-difluorophenyl)-N-ethylhexan-1-amine
CID 115837042
1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 82772326
1-(2-fluoro-4-methoxyphenyl)-N,5-dimethylhexan-1-amine
CID 83162028
1-(2,4-difluoro-5-methylphenyl)-N,4-dimethylpentan-1-amine
CID 79723951
N,5-dimethyl-1-(2,4,6-trifluorophenyl)hexan-1-amine
CID 105028817
1-(4-chloro-2,5-difluorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105023875
1-(2-chloro-4-fluorophenyl)-N,4-dimethylpentan-1-amine
CID 62946027
1-(4-chloro-2,5-difluorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030456
1-(4-chloro-2,5-difluorophenyl)butan-1-ol
CID 115780952
1-(2-fluoro-5-methylphenyl)-N,4-dimethylpentan-1-amine
CID 62790209
1-(4-chloro-2,5-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 82772035

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-N,5-dimethylhexan-1-amine?
The IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-N,5-dimethylhexan-1-amine (CID 105028716) is 1-(4-chloro-2,5-difluorophenyl)-N,5-dimethylhexan-1-amine.
What is the SMILES notation for 1-(4-chloro-2,5-difluorophenyl)-N,5-dimethylhexan-1-amine?
The canonical SMILES for 1-(4-chloro-2,5-difluorophenyl)-N,5-dimethylhexan-1-amine is CNC(CCCC(C)C)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2,5-difluorophenyl)-N,5-dimethylhexan-1-amine?
The InChIKey is ULTSKTGPCBUBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClF2N/c1-9(2)5-4-6-14(18-3)10-7-13(17)11(15)8-12(10)16/h7-9,14,18H,4-6H2,1-3H3.
What are the key properties of 1-(4-chloro-2,5-difluorophenyl)-N,5-dimethylhexan-1-amine?
1-(4-chloro-2,5-difluorophenyl)-N,5-dimethylhexan-1-amine has a molecular weight of 275.77 g/mol, XLogP of 4.70, 6 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,5-dimethylhexan-1-amine is sourced from PubChem (CID 105028716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).