4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine

C17H26F3N — CID 63526917

IUPAC4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
SMILESCCCNC(Cc1ccc(C(F)(F)F)cc1)CC(C)(C)C
InChIInChI=1S/C17H26F3N/c1-5-10-21-15(12-16(2,3)4)11-13-6-8-14(9-7-13)17(18,19)20/h6-9,15,21H,5,10-12H2,1-4H3
InChIKeyBGYNDJHTZXVYPR-UHFFFAOYSA-N
MW301.40 g/mol
LogP5.05
Rot. Bonds6

About 4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine

4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine (PubChem CID 63526917) 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-2-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
PubChem CID63526917
Molecular FormulaC17H26F3N
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC Name4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
SMILESCCCNC(Cc1ccc(C(F)(F)F)cc1)CC(C)(C)C
InChIInChI=1S/C17H26F3N/c1-5-10-21-15(12-16(2,3)4)11-13-6-8-14(9-7-13)17(18,19)20/h6-9,15,21H,5,10-12H2,1-4H3
InChIKeyBGYNDJHTZXVYPR-UHFFFAOYSA-N
XLogP5.05
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 ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4-dimethyl-N-propyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 63890032
4,4-dimethyl-1-(4-propan-2-ylphenyl)-N-propylpentan-2-amine
CID 63889827
1-propan-2-yloxy-N-propyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 105013266
N-propyl-1-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine
CID 104987546
1-phenyl-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 63412549
1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine
CID 60818688
1-(2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 61066309
3,3-dimethyl-N-propyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 83141197
4-ethyl-N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 105028112
N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 55040773
N-ethyl-5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 79954040
4,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]heptan-2-ol
CID 115791046

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine?
The IUPAC name of 4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine (CID 63526917) is 4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine.
What is the SMILES notation for 4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine?
The canonical SMILES for 4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine is CCCNC(Cc1ccc(C(F)(F)F)cc1)CC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine?
The InChIKey is BGYNDJHTZXVYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N/c1-5-10-21-15(12-16(2,3)4)11-13-6-8-14(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-2-amine?
4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine has a molecular weight of 301.40 g/mol, XLogP of 5.05, 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-2-amine is sourced from PubChem (CID 63526917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).