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

C15H21ClF3N — CID 106858377

IUPAC1-(2-chloro-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1ccc(C)cc1Cl
InChIInChI=1S/C15H21ClF3N/c1-3-9-20-14(5-4-8-15(17,18)19)12-7-6-11(2)10-13(12)16/h6-7,10,14,20H,3-5,8-9H2,1-2H3
InChIKeyWGDBPTSHESHHRG-UHFFFAOYSA-N
MW307.79 g/mol
LogP5.42
Rot. Bonds7

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

1-(2-chloro-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine (PubChem CID 106858377) has the molecular formula C15H21ClF3N and a molecular weight of 307.79 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
PubChem CID106858377
Molecular FormulaC15H21ClF3N
Molecular Weight307.79 g/mol
Exact Mass307.13
IUPAC Name1-(2-chloro-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1ccc(C)cc1Cl
InChIInChI=1S/C15H21ClF3N/c1-3-9-20-14(5-4-8-15(17,18)19)12-7-6-11(2)10-13(12)16/h6-7,10,14,20H,3-5,8-9H2,1-2H3
InChIKeyWGDBPTSHESHHRG-UHFFFAOYSA-N
XLogP5.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.79
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-methylphenyl)-N-propyloctan-1-amine
CID 106857214
1-(2-chloro-4-methylphenyl)-4-methoxy-N-propylbutan-1-amine
CID 106858855
1-(2-chloro-4-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 106857235
1-(4-bromo-2-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024035
1-(4-bromo-2-chlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105023825
1-(4-chloro-3-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024069
1-(2,5-dibromophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024009
1-(2-chloro-4-methylphenyl)-N-ethyloctan-1-amine
CID 106857215
5,5,5-trifluoro-1-(2-fluorophenyl)-N-propylpentan-1-amine
CID 115516684
1-(3,5-dichloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 115517384
4,4,4-trifluoro-1-(4-methylphenyl)-N-propylbutan-1-amine
CID 64565776
1-(3-bromo-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024259

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine (CID 106858377) is 1-(2-chloro-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine is CCCNC(CCCC(F)(F)F)c1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The InChIKey is WGDBPTSHESHHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClF3N/c1-3-9-20-14(5-4-8-15(17,18)19)12-7-6-11(2)10-13(12)16/h6-7,10,14,20H,3-5,8-9H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine?
1-(2-chloro-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine has a molecular weight of 307.79 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine is sourced from PubChem (CID 106858377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).