2,4,4-trimethyl-N-(3,3,3-trifluoro-1-phenylpropyl)pentan-2-amine

C17H26F3N — CID 43788256

IUPAC2,4,4-trimethyl-N-(3,3,3-trifluoro-1-phenylpropyl)pentan-2-amine
SMILESCC(C)(C)CC(C)(C)NC(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C17H26F3N/c1-15(2,3)12-16(4,5)21-14(11-17(18,19)20)13-9-7-6-8-10-13/h6-10,14,21H,11-12H2,1-5H3
InChIKeyAFTMTPMALJYDMK-UHFFFAOYSA-N
MW301.40 g/mol
LogP5.48
Rot. Bonds5

About 2,4,4-trimethyl-N-(3,3,3-trifluoro-1-phenylpropyl)pentan-2-amine

2,4,4-trimethyl-N-(3,3,3-trifluoro-1-phenylpropyl)pentan-2-amine (PubChem CID 43788256) has the molecular formula C17H26F3N and a molecular weight of 301.40 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-(3,3,3-trifluoro-1-phenylpropyl)pentan-2-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-(3,3,3-trifluoro-1-phenylpropyl)pentan-2-amine
PubChem CID43788256
Molecular FormulaC17H26F3N
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC Name2,4,4-trimethyl-N-(3,3,3-trifluoro-1-phenylpropyl)pentan-2-amine
SMILESCC(C)(C)CC(C)(C)NC(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C17H26F3N/c1-15(2,3)12-16(4,5)21-14(11-17(18,19)20)13-9-7-6-8-10-13/h6-10,14,21H,11-12H2,1-5H3
InChIKeyAFTMTPMALJYDMK-UHFFFAOYSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.40
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,4-trimethyl-N-(1-phenylhexyl)pentan-2-amine
CID 63445443
N-ethyl-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 43489138
3,3,3-trifluoro-1-phenyl-N-(1-phenylethyl)propan-1-amine
CID 43755979
4,4-dimethyl-1-[(3,3,3-trifluoro-1-phenylpropyl)amino]pentan-2-ol
CID 107151412
2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetic acid
CID 82344685
3,3,3-trifluoro-1-phenyl-N-prop-2-ynylpropan-1-amine
CID 43755356
4-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline
CID 43765835
2,2-difluoro-3-[(3,3,3-trifluoro-1-phenylpropyl)amino]propan-1-ol
CID 106172903
3,3,3-trifluoro-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-1-amine
CID 60961509
3-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)but-2-en-1-amine
CID 103913358
2-[(3,3,3-trifluoro-1-phenylpropyl)amino]butan-1-ol
CID 43771162
tert-butyl N-[(3,3,3-trifluoro-1-phenylpropyl)amino]carbamate
CID 107236907

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-(3,3,3-trifluoro-1-phenylpropyl)pentan-2-amine?
The IUPAC name of 2,4,4-trimethyl-N-(3,3,3-trifluoro-1-phenylpropyl)pentan-2-amine (CID 43788256) is 2,4,4-trimethyl-N-(3,3,3-trifluoro-1-phenylpropyl)pentan-2-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-(3,3,3-trifluoro-1-phenylpropyl)pentan-2-amine?
The canonical SMILES for 2,4,4-trimethyl-N-(3,3,3-trifluoro-1-phenylpropyl)pentan-2-amine is CC(C)(C)CC(C)(C)NC(CC(F)(F)F)c1ccccc1.
What is the InChIKey of 2,4,4-trimethyl-N-(3,3,3-trifluoro-1-phenylpropyl)pentan-2-amine?
The InChIKey is AFTMTPMALJYDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N/c1-15(2,3)12-16(4,5)21-14(11-17(18,19)20)13-9-7-6-8-10-13/h6-10,14,21H,11-12H2,1-5H3.
What are the key properties of 2,4,4-trimethyl-N-(3,3,3-trifluoro-1-phenylpropyl)pentan-2-amine?
2,4,4-trimethyl-N-(3,3,3-trifluoro-1-phenylpropyl)pentan-2-amine has a molecular weight of 301.40 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-(3,3,3-trifluoro-1-phenylpropyl)pentan-2-amine is sourced from PubChem (CID 43788256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).