2-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)ethanamine

C13H18FNO — CID 61063961

IUPAC2-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)ethanamine
SMILESCNC(Cc1ccc(F)cc1)C1CCCO1
InChIInChI=1S/C13H18FNO/c1-15-12(13-3-2-8-16-13)9-10-4-6-11(14)7-5-10/h4-7,12-13,15H,2-3,8-9H2,1H3
InChIKeyVUKVXFNMQOEJJD-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.14
Rot. Bonds4

About 2-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)ethanamine

2-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)ethanamine (PubChem CID 61063961) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)ethanamine
PubChem CID61063961
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)ethanamine
SMILESCNC(Cc1ccc(F)cc1)C1CCCO1
InChIInChI=1S/C13H18FNO/c1-15-12(13-3-2-8-16-13)9-10-4-6-11(14)7-5-10/h4-7,12-13,15H,2-3,8-9H2,1H3
InChIKeyVUKVXFNMQOEJJD-UHFFFAOYSA-N
XLogP2.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-(oxan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 115849284
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 103043459
2-(3,4-dichlorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 115843395
1-cycloheptyl-2-(4-fluorophenyl)-N-methylethanamine
CID 55091488
(1S)-N-methyl-2-(3-methylphenyl)-1-[(2S)-oxolan-2-yl]ethanamine
CID 124509379
2-(4-fluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79663116
2-(5-chloro-2-fluorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 103053273
4-[2-(methylamino)-2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 65328852
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 105035624
N-[(1R)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]propan-2-amine
CID 125486098
2-hydroxypropane-1,2,3-tricarboxylic acid;N-methyl-1-(oxolan-2-yl)-2-phenylethanamine
CID 139022406
2-(4-bromophenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine
CID 61064439

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)ethanamine (CID 61063961) is 2-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)ethanamine is CNC(Cc1ccc(F)cc1)C1CCCO1.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)ethanamine?
The InChIKey is VUKVXFNMQOEJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-15-12(13-3-2-8-16-13)9-10-4-6-11(14)7-5-10/h4-7,12-13,15H,2-3,8-9H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)ethanamine?
2-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)ethanamine has a molecular weight of 223.29 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 61063961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).