1,1,1-trifluoro-4-(4-methylphenyl)butan-2-amine

C11H14F3N — CID 11816793

IUPAC1,1,1-trifluoro-4-(4-methylphenyl)butan-2-amine
SMILESCc1ccc(CCC(N)C(F)(F)F)cc1
InChIInChI=1S/C11H14F3N/c1-8-2-4-9(5-3-8)6-7-10(15)11(12,13)14/h2-5,10H,6-7,15H2,1H3
InChIKeyUAPPNNNMEOPBPN-UHFFFAOYSA-N
MW217.23 g/mol
LogP2.82
Rot. Bonds3

About 1,1,1-trifluoro-4-(4-methylphenyl)butan-2-amine

1,1,1-trifluoro-4-(4-methylphenyl)butan-2-amine (PubChem CID 11816793) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-(4-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-4-(4-methylphenyl)butan-2-amine
PubChem CID11816793
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name1,1,1-trifluoro-4-(4-methylphenyl)butan-2-amine
SMILESCc1ccc(CCC(N)C(F)(F)F)cc1
InChIInChI=1S/C11H14F3N/c1-8-2-4-9(5-3-8)6-7-10(15)11(12,13)14/h2-5,10H,6-7,15H2,1H3
InChIKeyUAPPNNNMEOPBPN-UHFFFAOYSA-N
XLogP2.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1-trifluoro-4-(4-methylphenyl)butan-2-amine;hydrochloride
CID 117047046
1,1,1-trifluoro-4-(4-phenylphenyl)butan-2-amine
CID 132588713
1-(3,3-difluoropropyl)-4-methylbenzene
CID 142361339
2-[2-(4-methylphenyl)ethyl]propane-1,3-diamine
CID 83930827
3-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 105141503
1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane
CID 91266439
1,1,1-trifluoro-4-naphthalen-2-ylbutan-2-amine;hydrochloride
CID 117047105
1-amino-3-(4-methylphenyl)propane-1-sulfonic acid
CID 175464226
1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 20686233
4-(4-methylphenyl)-1-phenylbutan-2-amine
CID 55084075
1-(4-methylphenyl)decan-3-amine
CID 105125085
5-methyl-1-(4-methylphenyl)hex-4-en-3-amine
CID 105163477

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-(4-methylphenyl)butan-2-amine?
The IUPAC name of 1,1,1-trifluoro-4-(4-methylphenyl)butan-2-amine (CID 11816793) is 1,1,1-trifluoro-4-(4-methylphenyl)butan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-4-(4-methylphenyl)butan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-4-(4-methylphenyl)butan-2-amine is Cc1ccc(CCC(N)C(F)(F)F)cc1.
What is the InChIKey of 1,1,1-trifluoro-4-(4-methylphenyl)butan-2-amine?
The InChIKey is UAPPNNNMEOPBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N/c1-8-2-4-9(5-3-8)6-7-10(15)11(12,13)14/h2-5,10H,6-7,15H2,1H3.
What are the key properties of 1,1,1-trifluoro-4-(4-methylphenyl)butan-2-amine?
1,1,1-trifluoro-4-(4-methylphenyl)butan-2-amine has a molecular weight of 217.23 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-(4-methylphenyl)butan-2-amine is sourced from PubChem (CID 11816793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).