N-methyl-1-(oxolan-2-yl)-1-(2,4,5-trifluorophenyl)methanamine

C12H14F3NO — CID 103302330

IUPACN-methyl-1-(oxolan-2-yl)-1-(2,4,5-trifluorophenyl)methanamine
SMILESCNC(c1cc(F)c(F)cc1F)C1CCCO1
InChIInChI=1S/C12H14F3NO/c1-16-12(11-3-2-4-17-11)7-5-9(14)10(15)6-8(7)13/h5-6,11-12,16H,2-4H2,1H3
InChIKeyLTQYXCZQQCWFJP-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.54
Rot. Bonds3

About N-methyl-1-(oxolan-2-yl)-1-(2,4,5-trifluorophenyl)methanamine

N-methyl-1-(oxolan-2-yl)-1-(2,4,5-trifluorophenyl)methanamine (PubChem CID 103302330) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is N-methyl-1-(oxolan-2-yl)-1-(2,4,5-trifluorophenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-2-yl)-1-(2,4,5-trifluorophenyl)methanamine
PubChem CID103302330
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC NameN-methyl-1-(oxolan-2-yl)-1-(2,4,5-trifluorophenyl)methanamine
SMILESCNC(c1cc(F)c(F)cc1F)C1CCCO1
InChIInChI=1S/C12H14F3NO/c1-16-12(11-3-2-4-17-11)7-5-9(14)10(15)6-8(7)13/h5-6,11-12,16H,2-4H2,1H3
InChIKeyLTQYXCZQQCWFJP-UHFFFAOYSA-N
XLogP2.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[oxolan-2-yl-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302939
1-(3-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 65328286
2-[bromo-(2,4,5-trifluorophenyl)methyl]oxane
CID 103304168
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(oxan-2-yl)methanamine
CID 107130447
N-[(2,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine
CID 43490214
N-[(2-fluoro-4,5-dimethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 62867456
1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 43480086
1-[2,4-di(propan-2-yl)phenyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 63509253
[(2-fluoro-5-methylphenyl)-(oxan-2-yl)methyl]hydrazine
CID 105302766
N-methyl-1-naphthalen-2-yl-1-(oxolan-2-yl)methanamine
CID 65328741
1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 114729092
1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 114939283

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-2-yl)-1-(2,4,5-trifluorophenyl)methanamine?
The IUPAC name of N-methyl-1-(oxolan-2-yl)-1-(2,4,5-trifluorophenyl)methanamine (CID 103302330) is N-methyl-1-(oxolan-2-yl)-1-(2,4,5-trifluorophenyl)methanamine.
What is the SMILES notation for N-methyl-1-(oxolan-2-yl)-1-(2,4,5-trifluorophenyl)methanamine?
The canonical SMILES for N-methyl-1-(oxolan-2-yl)-1-(2,4,5-trifluorophenyl)methanamine is CNC(c1cc(F)c(F)cc1F)C1CCCO1.
What is the InChIKey of N-methyl-1-(oxolan-2-yl)-1-(2,4,5-trifluorophenyl)methanamine?
The InChIKey is LTQYXCZQQCWFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-16-12(11-3-2-4-17-11)7-5-9(14)10(15)6-8(7)13/h5-6,11-12,16H,2-4H2,1H3.
What are the key properties of N-methyl-1-(oxolan-2-yl)-1-(2,4,5-trifluorophenyl)methanamine?
N-methyl-1-(oxolan-2-yl)-1-(2,4,5-trifluorophenyl)methanamine has a molecular weight of 245.24 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-2-yl)-1-(2,4,5-trifluorophenyl)methanamine is sourced from PubChem (CID 103302330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).