N-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-amine

C13H18FNO — CID 115968324

IUPACN-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-amine
SMILESCc1ccc(F)cc1CNC1CCOC1C
InChIInChI=1S/C13H18FNO/c1-9-3-4-12(14)7-11(9)8-15-13-5-6-16-10(13)2/h3-4,7,10,13,15H,5-6,8H2,1-2H3
InChIKeyBCVLCIBXPCTKEW-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.40
Rot. Bonds3

About N-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-amine

N-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-amine (PubChem CID 115968324) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-amine
PubChem CID115968324
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-amine
SMILESCc1ccc(F)cc1CNC1CCOC1C
InChIInChI=1S/C13H18FNO/c1-9-3-4-12(14)7-11(9)8-15-13-5-6-16-10(13)2/h3-4,7,10,13,15H,5-6,8H2,1-2H3
InChIKeyBCVLCIBXPCTKEW-UHFFFAOYSA-N
XLogP2.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(2,4,5-trimethylphenyl)methyl]oxolan-3-amine
CID 82726551
N-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopropan-1-amine
CID 115968089
N-[(5-fluoro-2-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115968191
N-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclobutan-1-amine
CID 115968236
N-[2-(4-fluorophenyl)ethyl]-2-methyloxolan-3-amine
CID 115335502
N-[(5-fluoro-2-methylphenyl)methyl]-2-propylcyclopropan-1-amine
CID 115968233
1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049128
N-[(2-chlorophenyl)methyl]-2-methyloxolan-3-amine
CID 75525158
N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 115967929
2-[(5-fluoro-2-methylphenyl)methylamino]cyclohexane-1-carboxamide
CID 86790304
N-[(4-ethylphenyl)methyl]-2-methyloxolan-3-amine
CID 115337185
(2S,3R)-N-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine
CID 97358207

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-amine?
The IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-amine (CID 115968324) is N-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-amine.
What is the SMILES notation for N-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-amine?
The canonical SMILES for N-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-amine is Cc1ccc(F)cc1CNC1CCOC1C.
What is the InChIKey of N-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-amine?
The InChIKey is BCVLCIBXPCTKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-3-4-12(14)7-11(9)8-15-13-5-6-16-10(13)2/h3-4,7,10,13,15H,5-6,8H2,1-2H3.
What are the key properties of N-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-amine?
N-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-amine has a molecular weight of 223.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-amine is sourced from PubChem (CID 115968324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).