1-(3-chloro-5-methylphenyl)-5,5,5-trifluoro-N-methylpentan-1-amine

C13H17ClF3N — CID 105024334

IUPAC1-(3-chloro-5-methylphenyl)-5,5,5-trifluoro-N-methylpentan-1-amine
SMILESCNC(CCCC(F)(F)F)c1cc(C)cc(Cl)c1
InChIInChI=1S/C13H17ClF3N/c1-9-6-10(8-11(14)7-9)12(18-2)4-3-5-13(15,16)17/h6-8,12,18H,3-5H2,1-2H3
InChIKeyCSZQWWFNGSSONS-UHFFFAOYSA-N
MW279.73 g/mol
LogP4.64
Rot. Bonds5

About 1-(3-chloro-5-methylphenyl)-5,5,5-trifluoro-N-methylpentan-1-amine

1-(3-chloro-5-methylphenyl)-5,5,5-trifluoro-N-methylpentan-1-amine (PubChem CID 105024334) has the molecular formula C13H17ClF3N and a molecular weight of 279.73 g/mol. Its IUPAC name is 1-(3-chloro-5-methylphenyl)-5,5,5-trifluoro-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-5-methylphenyl)-5,5,5-trifluoro-N-methylpentan-1-amine
PubChem CID105024334
Molecular FormulaC13H17ClF3N
Molecular Weight279.73 g/mol
Exact Mass279.10
IUPAC Name1-(3-chloro-5-methylphenyl)-5,5,5-trifluoro-N-methylpentan-1-amine
SMILESCNC(CCCC(F)(F)F)c1cc(C)cc(Cl)c1
InChIInChI=1S/C13H17ClF3N/c1-9-6-10(8-11(14)7-9)12(18-2)4-3-5-13(15,16)17/h6-8,12,18H,3-5H2,1-2H3
InChIKeyCSZQWWFNGSSONS-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-5-methylphenyl)-N-methylhex-5-yn-1-amine
CID 105034185
1-(3,5-dichlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105024119
1-(3-chloro-4-fluorophenyl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 115516717
1-(3-chloro-5-methylphenyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103031602
5,5,5-trifluoro-N-methyl-1-(5-methylfuran-3-yl)pentan-1-amine
CID 105023879
1-(3,5-dimethylphenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82789068
1-(3,5-dimethylphenyl)-N-methylhexan-1-amine
CID 115797265
1-(3,5-dichlorophenyl)-5,5,5-trifluoropentan-1-amine
CID 105024184
1-(5-chlorofuran-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 106692847
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 105023810
5,5,5-trifluoro-N-methyl-1-(3-propan-2-yloxyphenyl)pentan-1-amine
CID 105024061
5,5,5-trifluoro-1-(5-fluoro-2-methylphenyl)-N-methylpentan-1-amine
CID 115516592

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methylphenyl)-5,5,5-trifluoro-N-methylpentan-1-amine?
The IUPAC name of 1-(3-chloro-5-methylphenyl)-5,5,5-trifluoro-N-methylpentan-1-amine (CID 105024334) is 1-(3-chloro-5-methylphenyl)-5,5,5-trifluoro-N-methylpentan-1-amine.
What is the SMILES notation for 1-(3-chloro-5-methylphenyl)-5,5,5-trifluoro-N-methylpentan-1-amine?
The canonical SMILES for 1-(3-chloro-5-methylphenyl)-5,5,5-trifluoro-N-methylpentan-1-amine is CNC(CCCC(F)(F)F)c1cc(C)cc(Cl)c1.
What is the InChIKey of 1-(3-chloro-5-methylphenyl)-5,5,5-trifluoro-N-methylpentan-1-amine?
The InChIKey is CSZQWWFNGSSONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3N/c1-9-6-10(8-11(14)7-9)12(18-2)4-3-5-13(15,16)17/h6-8,12,18H,3-5H2,1-2H3.
What are the key properties of 1-(3-chloro-5-methylphenyl)-5,5,5-trifluoro-N-methylpentan-1-amine?
1-(3-chloro-5-methylphenyl)-5,5,5-trifluoro-N-methylpentan-1-amine has a molecular weight of 279.73 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methylphenyl)-5,5,5-trifluoro-N-methylpentan-1-amine is sourced from PubChem (CID 105024334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).