1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methyloxolan-2-yl)methanamine

C14H17F4NO — CID 107289167

IUPAC1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methyloxolan-2-yl)methanamine
SMILESCNC(c1ccc(C(F)(F)F)c(F)c1)C1(C)CCCO1
InChIInChI=1S/C14H17F4NO/c1-13(6-3-7-20-13)12(19-2)9-4-5-10(11(15)8-9)14(16,17)18/h4-5,8,12,19H,3,6-7H2,1-2H3
InChIKeyAKBLQNQZHOHRNP-UHFFFAOYSA-N
MW291.29 g/mol
LogP3.67
Rot. Bonds3

About 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methyloxolan-2-yl)methanamine

1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methyloxolan-2-yl)methanamine (PubChem CID 107289167) has the molecular formula C14H17F4NO and a molecular weight of 291.29 g/mol. Its IUPAC name is 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methyloxolan-2-yl)methanamine
PubChem CID107289167
Molecular FormulaC14H17F4NO
Molecular Weight291.29 g/mol
Exact Mass291.12
IUPAC Name1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methyloxolan-2-yl)methanamine
SMILESCNC(c1ccc(C(F)(F)F)c(F)c1)C1(C)CCCO1
InChIInChI=1S/C14H17F4NO/c1-13(6-3-7-20-13)12(19-2)9-4-5-10(11(15)8-9)14(16,17)18/h4-5,8,12,19H,3,6-7H2,1-2H3
InChIKeyAKBLQNQZHOHRNP-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 107129013
[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methyloxan-2-yl)methyl]hydrazine
CID 107292381
1-(4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
CID 80684144
[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclohexyl)methanol
CID 107292057
N-methyl-1-(2-methyloxan-2-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708423
1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 82822643
(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methanamine
CID 154991049
[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methyloxolan-2-yl)methanone
CID 107288226
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 107289018
1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 114730060
1-(1,4-dioxan-2-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107291492
N-methyl-1-(2-methyloxan-2-yl)-1-(3-propylphenyl)methanamine
CID 116544913

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methyloxolan-2-yl)methanamine?
The IUPAC name of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methyloxolan-2-yl)methanamine (CID 107289167) is 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methyloxolan-2-yl)methanamine.
What is the SMILES notation for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methyloxolan-2-yl)methanamine?
The canonical SMILES for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methyloxolan-2-yl)methanamine is CNC(c1ccc(C(F)(F)F)c(F)c1)C1(C)CCCO1.
What is the InChIKey of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methyloxolan-2-yl)methanamine?
The InChIKey is AKBLQNQZHOHRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4NO/c1-13(6-3-7-20-13)12(19-2)9-4-5-10(11(15)8-9)14(16,17)18/h4-5,8,12,19H,3,6-7H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methyloxolan-2-yl)methanamine?
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methyloxolan-2-yl)methanamine has a molecular weight of 291.29 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 107289167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).