2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]propan-2-amine

C16H22F3NO — CID 79370301

IUPAC2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1CCOC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H22F3NO/c1-15(2,3)20-10-12-8-9-21-14(12)11-4-6-13(7-5-11)16(17,18)19/h4-7,12,14,20H,8-10H2,1-3H3
InChIKeyRGZHCUSVDGQUOL-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.17
Rot. Bonds3

About 2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]propan-2-amine

2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]propan-2-amine (PubChem CID 79370301) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]propan-2-amine
PubChem CID79370301
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1CCOC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H22F3NO/c1-15(2,3)20-10-12-8-9-21-14(12)11-4-6-13(7-5-11)16(17,18)19/h4-7,12,14,20H,8-10H2,1-3H3
InChIKeyRGZHCUSVDGQUOL-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(4-fluoro-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 79368845
2-methyl-N-[(2-naphthalen-2-yloxolan-3-yl)methyl]propan-2-amine
CID 79370307
N-[[2-(4-tert-butylphenyl)oxolan-3-yl]methyl]ethanamine
CID 79368719
N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 115530341
N-[[2-(1-benzofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 79368554
N-[[2-(4-fluoro-3-methylphenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 79364659
3-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]oxane
CID 79373159
1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[(2R,3S)-2-[4-(trifluoromethyl)phenyl]oxan-3-yl]methyl]ethanamine
CID 167835337
(2R,3S)-3-chloro-2-[4-(trifluoromethyl)phenyl]oxolane
CID 102201360
2-methyl-N-[[2-(2,4,6-trimethylphenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79368179
N-[[2-(4-bromo-2-fluorophenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 79367897
N-[[2-(2,3-difluorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 79365209

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]propan-2-amine (CID 79370301) is 2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]propan-2-amine is CC(C)(C)NCC1CCOC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is RGZHCUSVDGQUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-15(2,3)20-10-12-8-9-21-14(12)11-4-6-13(7-5-11)16(17,18)19/h4-7,12,14,20H,8-10H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]propan-2-amine?
2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 301.35 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 79370301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).