4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine

C17H26F3N — CID 115849836

IUPAC4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
SMILESCCCNC(CCC(C)(C)C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H26F3N/c1-5-12-21-15(10-11-16(2,3)4)13-6-8-14(9-7-13)17(18,19)20/h6-9,15,21H,5,10-12H2,1-4H3
InChIKeyULLXKJAIWWWCDL-UHFFFAOYSA-N
MW301.40 g/mol
LogP5.57
Rot. Bonds6

About 4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine

4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine (PubChem CID 115849836) has the molecular formula C17H26F3N and a molecular weight of 301.40 g/mol. Its IUPAC name is 4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
PubChem CID115849836
Molecular FormulaC17H26F3N
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC Name4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
SMILESCCCNC(CCC(C)(C)C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H26F3N/c1-5-12-21-15(10-11-16(2,3)4)13-6-8-14(9-7-13)17(18,19)20/h6-9,15,21H,5,10-12H2,1-4H3
InChIKeyULLXKJAIWWWCDL-UHFFFAOYSA-N
XLogP5.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.40
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propyl-1-[4-(trifluoromethyl)phenyl]hexan-1-amine
CID 115837166
1-(4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63414142
1-(4-ethoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115849837
4,4,4-trifluoro-1-(4-methylphenyl)-N-propylbutan-1-amine
CID 64565776
1-(3,4-dichlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 81492270
1-(4-chlorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 64566182
1-(3-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115849720
methyl 3-(propylamino)-3-[4-(trifluoromethyl)phenyl]propanoate
CID 65235964
1-(3-chlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63411991
N-[2-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 105029239
1-(4-tert-butylphenyl)-3-methoxy-N-propylpropan-1-amine
CID 55085543
1-(4-tert-butylphenyl)-N-propylhex-4-yn-1-amine
CID 105037317

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine?
The IUPAC name of 4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine (CID 115849836) is 4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine?
The canonical SMILES for 4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine is CCCNC(CCC(C)(C)C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine?
The InChIKey is ULLXKJAIWWWCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N/c1-5-12-21-15(10-11-16(2,3)4)13-6-8-14(9-7-13)17(18,19)20/h6-9,15,21H,5,10-12H2,1-4H3.
What are the key properties of 4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine?
4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine has a molecular weight of 301.40 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine is sourced from PubChem (CID 115849836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).