N-ethyl-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-amine

C16H24F3N — CID 63399897

IUPACN-ethyl-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-amine
SMILESCCNC(CCc1ccc(C(F)(F)F)cc1)C(C)(C)C
InChIInChI=1S/C16H24F3N/c1-5-20-14(15(2,3)4)11-8-12-6-9-13(10-7-12)16(17,18)19/h6-7,9-10,14,20H,5,8,11H2,1-4H3
InChIKeyGYKNXBKQDPXWPB-UHFFFAOYSA-N
MW287.37 g/mol
LogP4.66
Rot. Bonds5

About N-ethyl-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-amine

N-ethyl-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-amine (PubChem CID 63399897) has the molecular formula C16H24F3N and a molecular weight of 287.37 g/mol. Its IUPAC name is N-ethyl-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-amine.

Molecular Properties

Compound NameN-ethyl-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-amine
PubChem CID63399897
Molecular FormulaC16H24F3N
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC NameN-ethyl-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-amine
SMILESCCNC(CCc1ccc(C(F)(F)F)cc1)C(C)(C)C
InChIInChI=1S/C16H24F3N/c1-5-20-14(15(2,3)4)11-8-12-6-9-13(10-7-12)16(17,18)19/h6-7,9-10,14,20H,5,8,11H2,1-4H3
InChIKeyGYKNXBKQDPXWPB-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-ethyl-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-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

2-N-ethyl-3-N,3-N,3-trimethyl-1-[4-(trifluoromethyl)phenyl]butane-2,3-diamine
CID 79046053
N-ethyl-2,2-dimethyl-6-phenylhexan-3-amine
CID 62600038
4-(4-tert-butylphenyl)-N-ethylbutan-2-amine
CID 60995834
1-(2-bromophenyl)-N-ethyl-4,4-dimethylpentan-3-amine
CID 54891491
N-ethyl-5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 79954040
N-ethyl-1,1-difluoro-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 103516579
2-methyl-4-[4-(trifluoromethyl)phenyl]butanoic acid
CID 81007800
N,4-diethyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 105028045
(2S)-2-(ethylamino)-3-[4-(trifluoromethyl)phenyl]propanoic acid
CID 175779531
2-methyl-4-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 64666701
2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-3-amine
CID 61468668
1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 20686233

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-amine?
The IUPAC name of N-ethyl-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-amine (CID 63399897) is N-ethyl-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-amine.
What is the SMILES notation for N-ethyl-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-amine?
The canonical SMILES for N-ethyl-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-amine is CCNC(CCc1ccc(C(F)(F)F)cc1)C(C)(C)C.
What is the InChIKey of N-ethyl-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-amine?
The InChIKey is GYKNXBKQDPXWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N/c1-5-20-14(15(2,3)4)11-8-12-6-9-13(10-7-12)16(17,18)19/h6-7,9-10,14,20H,5,8,11H2,1-4H3.
What are the key properties of N-ethyl-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-amine?
N-ethyl-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-amine has a molecular weight of 287.37 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-amine is sourced from PubChem (CID 63399897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).