6,6,6-trifluoro-1-(3-methylphenyl)hexan-2-amine

C13H18F3N — CID 113326992

IUPAC6,6,6-trifluoro-1-(3-methylphenyl)hexan-2-amine
SMILESCc1cccc(CC(N)CCCC(F)(F)F)c1
InChIInChI=1S/C13H18F3N/c1-10-4-2-5-11(8-10)9-12(17)6-3-7-13(14,15)16/h2,4-5,8,12H,3,6-7,9,17H2,1H3
InChIKeyRGORIVKRDGIKRQ-UHFFFAOYSA-N
MW245.29 g/mol
LogP3.60
Rot. Bonds5

About 6,6,6-trifluoro-1-(3-methylphenyl)hexan-2-amine

6,6,6-trifluoro-1-(3-methylphenyl)hexan-2-amine (PubChem CID 113326992) has the molecular formula C13H18F3N and a molecular weight of 245.29 g/mol. Its IUPAC name is 6,6,6-trifluoro-1-(3-methylphenyl)hexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-1-(3-methylphenyl)hexan-2-amine
PubChem CID113326992
Molecular FormulaC13H18F3N
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Name6,6,6-trifluoro-1-(3-methylphenyl)hexan-2-amine
SMILESCc1cccc(CC(N)CCCC(F)(F)F)c1
InChIInChI=1S/C13H18F3N/c1-10-4-2-5-11(8-10)9-12(17)6-3-7-13(14,15)16/h2,4-5,8,12H,3,6-7,9,17H2,1H3
InChIKeyRGORIVKRDGIKRQ-UHFFFAOYSA-N
XLogP3.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dimethylphenyl)-6,6,6-trifluorohexan-2-amine
CID 115516607
1,4-bis(3-methylphenyl)butan-2-amine
CID 62390102
toluene;6,6,6-trifluorohexane-1,2-diamine
CID 143077425
6,6,6-trifluoro-1-(3-methylphenyl)-N-propylhexan-2-amine
CID 115516541
4,4,4-trifluoro-1-(3-methylphenyl)-3-(trifluoromethyl)butan-2-amine
CID 103311693
4-methyl-1-(3-methylphenyl)pentan-2-amine
CID 59323309
1,1-difluoro-3-(3-methylphenyl)propan-2-amine
CID 84660101
1-(3-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 63414918
1-(3,5-dimethylphenyl)-6,6-dimethylheptan-2-amine
CID 114209940
[1,1,1-trifluoro-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105215650
1-(4-chloro-3-fluorophenyl)-4-(3-methylphenyl)butan-2-amine
CID 107892082
4-ethyl-1-(3-methylphenyl)octan-2-amine
CID 63414791

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-1-(3-methylphenyl)hexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-1-(3-methylphenyl)hexan-2-amine (CID 113326992) is 6,6,6-trifluoro-1-(3-methylphenyl)hexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-1-(3-methylphenyl)hexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-1-(3-methylphenyl)hexan-2-amine is Cc1cccc(CC(N)CCCC(F)(F)F)c1.
What is the InChIKey of 6,6,6-trifluoro-1-(3-methylphenyl)hexan-2-amine?
The InChIKey is RGORIVKRDGIKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N/c1-10-4-2-5-11(8-10)9-12(17)6-3-7-13(14,15)16/h2,4-5,8,12H,3,6-7,9,17H2,1H3.
What are the key properties of 6,6,6-trifluoro-1-(3-methylphenyl)hexan-2-amine?
6,6,6-trifluoro-1-(3-methylphenyl)hexan-2-amine has a molecular weight of 245.29 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-1-(3-methylphenyl)hexan-2-amine is sourced from PubChem (CID 113326992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).