1-amino-6-methyl-2-[3-(trifluoromethyl)phenyl]heptan-3-ol

C15H22F3NO — CID 65190701

IUPAC1-amino-6-methyl-2-[3-(trifluoromethyl)phenyl]heptan-3-ol
SMILESCC(C)CCC(O)C(CN)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H22F3NO/c1-10(2)6-7-14(20)13(9-19)11-4-3-5-12(8-11)15(16,17)18/h3-5,8,10,13-14,20H,6-7,9,19H2,1-2H3
InChIKeyGVMWQBTZFRVVOW-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.54
Rot. Bonds6

About 1-amino-6-methyl-2-[3-(trifluoromethyl)phenyl]heptan-3-ol

1-amino-6-methyl-2-[3-(trifluoromethyl)phenyl]heptan-3-ol (PubChem CID 65190701) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-amino-6-methyl-2-[3-(trifluoromethyl)phenyl]heptan-3-ol.

Molecular Properties

Compound Name1-amino-6-methyl-2-[3-(trifluoromethyl)phenyl]heptan-3-ol
PubChem CID65190701
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name1-amino-6-methyl-2-[3-(trifluoromethyl)phenyl]heptan-3-ol
SMILESCC(C)CCC(O)C(CN)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H22F3NO/c1-10(2)6-7-14(20)13(9-19)11-4-3-5-12(8-11)15(16,17)18/h3-5,8,10,13-14,20H,6-7,9,19H2,1-2H3
InChIKeyGVMWQBTZFRVVOW-UHFFFAOYSA-N
XLogP3.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]pentan-3-ol
CID 65190090
1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]hexan-3-ol
CID 65190191
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514
3-amino-1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 65190498
3-amino-1-pyridin-3-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 65190750
2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 20546638
5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-amine
CID 112509136
(1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 129052960
(2R)-2-fluoro-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 97052338
N-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65384986
3-amino-1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 65190290
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585

Frequently Asked Questions

What is the IUPAC name of 1-amino-6-methyl-2-[3-(trifluoromethyl)phenyl]heptan-3-ol?
The IUPAC name of 1-amino-6-methyl-2-[3-(trifluoromethyl)phenyl]heptan-3-ol (CID 65190701) is 1-amino-6-methyl-2-[3-(trifluoromethyl)phenyl]heptan-3-ol.
What is the SMILES notation for 1-amino-6-methyl-2-[3-(trifluoromethyl)phenyl]heptan-3-ol?
The canonical SMILES for 1-amino-6-methyl-2-[3-(trifluoromethyl)phenyl]heptan-3-ol is CC(C)CCC(O)C(CN)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-amino-6-methyl-2-[3-(trifluoromethyl)phenyl]heptan-3-ol?
The InChIKey is GVMWQBTZFRVVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-10(2)6-7-14(20)13(9-19)11-4-3-5-12(8-11)15(16,17)18/h3-5,8,10,13-14,20H,6-7,9,19H2,1-2H3.
What are the key properties of 1-amino-6-methyl-2-[3-(trifluoromethyl)phenyl]heptan-3-ol?
1-amino-6-methyl-2-[3-(trifluoromethyl)phenyl]heptan-3-ol has a molecular weight of 289.34 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-methyl-2-[3-(trifluoromethyl)phenyl]heptan-3-ol is sourced from PubChem (CID 65190701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).