[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-4-fluorophenyl]methanamine

C16H23FN2O — CID 64770651

IUPAC[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)cc1CN1CCOC2CCCCC21
InChIInChI=1S/C16H23FN2O/c17-14-6-5-12(10-18)13(9-14)11-19-7-8-20-16-4-2-1-3-15(16)19/h5-6,9,15-16H,1-4,7-8,10-11,18H2
InChIKeyVMMVNAFACNNRSV-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.43
Rot. Bonds3

About [2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-4-fluorophenyl]methanamine

[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-4-fluorophenyl]methanamine (PubChem CID 64770651) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is [2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-4-fluorophenyl]methanamine
PubChem CID64770651
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)cc1CN1CCOC2CCCCC21
InChIInChI=1S/C16H23FN2O/c17-14-6-5-12(10-18)13(9-14)11-19-7-8-20-16-4-2-1-3-15(16)19/h5-6,9,15-16H,1-4,7-8,10-11,18H2
InChIKeyVMMVNAFACNNRSV-UHFFFAOYSA-N
XLogP2.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-4-fluorophenyl]methanamine 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

4-[(4-Fluorophenyl)methyl]-2-(2-phenylethyl)morpholine
CID 72737750
trans-(1R,2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-ol
CID 15925775
2-(3,4-Dihydro-1H-isoquinolin-2-yl)-cyclohexanol
CID 15925773
4-[(2-Methylphenyl)methyl]-2-(2-phenylethyl)morpholine
CID 72737772
2-(2-Ethoxy-ethyl)-1-phenyl-1,2,3,4-tetrahydro-isoquinoline
CID 14548156
4-[(2,6-Difluorophenyl)methyl]-2-(2-phenylethyl)morpholine
CID 72737725
N-(2-methoxycyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 5190577
2-[4-(4-Fluoro-2-methylbenzyl)morpholin-2-yl]ethanamine
CID 74251395
(1S)-1-(3,5-difluorophenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine
CID 97229314
2,6-dimethyl-N-[1-(2-methylphenyl)-2-morpholin-4-ylethyl]oxan-4-amine
CID 119033910
(9aS)-8-[(5-fluoro-2-methylphenyl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 124256110
1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-fluoro-2-methylphenyl)methyl]methanamine
CID 124545907

Frequently Asked Questions

What is the IUPAC name of [2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-4-fluorophenyl]methanamine?
The IUPAC name of [2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-4-fluorophenyl]methanamine (CID 64770651) is [2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-4-fluorophenyl]methanamine.
What is the SMILES notation for [2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-4-fluorophenyl]methanamine?
The canonical SMILES for [2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-4-fluorophenyl]methanamine is NCc1ccc(F)cc1CN1CCOC2CCCCC21.
What is the InChIKey of [2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-4-fluorophenyl]methanamine?
The InChIKey is VMMVNAFACNNRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c17-14-6-5-12(10-18)13(9-14)11-19-7-8-20-16-4-2-1-3-15(16)19/h5-6,9,15-16H,1-4,7-8,10-11,18H2.
What are the key properties of [2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-4-fluorophenyl]methanamine?
[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-4-fluorophenyl]methanamine has a molecular weight of 278.37 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-4-fluorophenyl]methanamine is sourced from PubChem (CID 64770651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).