1,1,1-trifluoro-N-propyl-2-(4-propylphenyl)propan-2-amine

C15H22F3N — CID 66205585

IUPAC1,1,1-trifluoro-N-propyl-2-(4-propylphenyl)propan-2-amine
SMILESCCCNC(C)(c1ccc(CCC)cc1)C(F)(F)F
InChIInChI=1S/C15H22F3N/c1-4-6-12-7-9-13(10-8-12)14(3,15(16,17)18)19-11-5-2/h7-10,19H,4-6,11H2,1-3H3
InChIKeyPNRDONRVISXSKI-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.42
Rot. Bonds6

About 1,1,1-trifluoro-N-propyl-2-(4-propylphenyl)propan-2-amine

1,1,1-trifluoro-N-propyl-2-(4-propylphenyl)propan-2-amine (PubChem CID 66205585) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-propyl-2-(4-propylphenyl)propan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-propyl-2-(4-propylphenyl)propan-2-amine
PubChem CID66205585
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name1,1,1-trifluoro-N-propyl-2-(4-propylphenyl)propan-2-amine
SMILESCCCNC(C)(c1ccc(CCC)cc1)C(F)(F)F
InChIInChI=1S/C15H22F3N/c1-4-6-12-7-9-13(10-8-12)14(3,15(16,17)18)19-11-5-2/h7-10,19H,4-6,11H2,1-3H3
InChIKeyPNRDONRVISXSKI-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1,1-trifluoro-N-propyl-2-(4-propylphenyl)propan-2-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

1-(1,1,2,2,2-pentafluoroethyl)-4-propylbenzene
CID 71656112
N-ethyl-1,1,1-trifluoro-2-[4-(2-methylpropyl)phenyl]propan-2-amine
CID 66204154
2-fluoro-2-(4-propylphenyl)propanal
CID 105448168
3,3-difluoro-N-methyl-3-(4-propylphenyl)propan-1-amine
CID 116838654
1-iodo-4-[1,1,2,2-tetrafluoro-2-(4-propylphenyl)ethyl]benzene
CID 139623961
1-[difluoro-(4-pentylphenyl)methyl]-4-propylbenzene
CID 20705616
N-[2-(4-propylphenyl)ethyl]propan-1-amine
CID 62801755
3-(4-tert-butylphenyl)-N-propylpropan-1-amine
CID 62528827
N'-[2-methyl-2-(4-propylphenyl)propyl]ethane-1,2-diamine
CID 115195580
N-[(4-propylphenyl)methyl]propan-1-amine
CID 60657533
N-methyl-N'-[2-methyl-2-(4-propylphenyl)propyl]methanediamine
CID 115227465
2-(4-propylanilino)ethanethiol
CID 115223632

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-propyl-2-(4-propylphenyl)propan-2-amine?
The IUPAC name of 1,1,1-trifluoro-N-propyl-2-(4-propylphenyl)propan-2-amine (CID 66205585) is 1,1,1-trifluoro-N-propyl-2-(4-propylphenyl)propan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-N-propyl-2-(4-propylphenyl)propan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-N-propyl-2-(4-propylphenyl)propan-2-amine is CCCNC(C)(c1ccc(CCC)cc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-propyl-2-(4-propylphenyl)propan-2-amine?
The InChIKey is PNRDONRVISXSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N/c1-4-6-12-7-9-13(10-8-12)14(3,15(16,17)18)19-11-5-2/h7-10,19H,4-6,11H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-N-propyl-2-(4-propylphenyl)propan-2-amine?
1,1,1-trifluoro-N-propyl-2-(4-propylphenyl)propan-2-amine has a molecular weight of 273.34 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-propyl-2-(4-propylphenyl)propan-2-amine is sourced from PubChem (CID 66205585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).