N-[cyclopropyl(phenyl)methyl]-6,6,6-trifluorohexan-2-amine

C16H22F3N — CID 116534404

IUPACN-[cyclopropyl(phenyl)methyl]-6,6,6-trifluorohexan-2-amine
SMILESCC(CCCC(F)(F)F)NC(c1ccccc1)C1CC1
InChIInChI=1S/C16H22F3N/c1-12(6-5-11-16(17,18)19)20-15(14-9-10-14)13-7-3-2-4-8-13/h2-4,7-8,12,14-15,20H,5-6,9-11H2,1H3
InChIKeyBSRSMVKNLNGEKK-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.85
Rot. Bonds7

About N-[cyclopropyl(phenyl)methyl]-6,6,6-trifluorohexan-2-amine

N-[cyclopropyl(phenyl)methyl]-6,6,6-trifluorohexan-2-amine (PubChem CID 116534404) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-6,6,6-trifluorohexan-2-amine.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-6,6,6-trifluorohexan-2-amine
PubChem CID116534404
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC NameN-[cyclopropyl(phenyl)methyl]-6,6,6-trifluorohexan-2-amine
SMILESCC(CCCC(F)(F)F)NC(c1ccccc1)C1CC1
InChIInChI=1S/C16H22F3N/c1-12(6-5-11-16(17,18)19)20-15(14-9-10-14)13-7-3-2-4-8-13/h2-4,7-8,12,14-15,20H,5-6,9-11H2,1H3
InChIKeyBSRSMVKNLNGEKK-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-[[cyclopropyl(phenyl)methyl]amino]propyl]phenol
CID 115494135
N-[cyclohexyl(phenyl)methyl]pentan-2-amine
CID 43103715
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
N-[cyclopropyl(phenyl)methyl]-1-ethylsulfonylpropan-2-amine
CID 115898623
N-[cyclohexyl(phenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115516535
N-[(4-chlorophenyl)-cyclopropylmethyl]hexan-2-amine
CID 63477442
6,6,6-trifluoro-N-[(1S)-1-(3-fluorophenyl)ethyl]hexan-2-amine
CID 104889893
N-[cyclopropyl(phenyl)methyl]-3-ethylpentan-2-amine
CID 63842237
6,6,6-trifluoro-N-(1-pyridin-3-ylethyl)hexan-2-amine
CID 116534097
N-[cyclopropyl(phenyl)methyl]-4-methylpent-1-yn-3-amine
CID 114202113
6,6,6-trifluoro-N-[1-(4-methylphenyl)ethyl]hexan-2-amine
CID 116534570
3-[[cyclopropyl(phenyl)methyl]amino]-1,1,1-trifluoropropan-2-ol
CID 113350008

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-6,6,6-trifluorohexan-2-amine?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-6,6,6-trifluorohexan-2-amine (CID 116534404) is N-[cyclopropyl(phenyl)methyl]-6,6,6-trifluorohexan-2-amine.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-6,6,6-trifluorohexan-2-amine?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-6,6,6-trifluorohexan-2-amine is CC(CCCC(F)(F)F)NC(c1ccccc1)C1CC1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-6,6,6-trifluorohexan-2-amine?
The InChIKey is BSRSMVKNLNGEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-12(6-5-11-16(17,18)19)20-15(14-9-10-14)13-7-3-2-4-8-13/h2-4,7-8,12,14-15,20H,5-6,9-11H2,1H3.
What are the key properties of N-[cyclopropyl(phenyl)methyl]-6,6,6-trifluorohexan-2-amine?
N-[cyclopropyl(phenyl)methyl]-6,6,6-trifluorohexan-2-amine has a molecular weight of 285.35 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-6,6,6-trifluorohexan-2-amine is sourced from PubChem (CID 116534404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).