N-[(2-fluoro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine

C16H24FNO2 — CID 105024939

IUPACN-[(2-fluoro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(OC)c1F)C1OCCC1C
InChIInChI=1S/C16H24FNO2/c1-4-9-18-15(16-11(2)8-10-20-16)12-6-5-7-13(19-3)14(12)17/h5-7,11,15-16,18H,4,8-10H2,1-3H3
InChIKeyDUQTVCDJWIQBAE-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.30
Rot. Bonds6

About N-[(2-fluoro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine

N-[(2-fluoro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine (PubChem CID 105024939) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is N-[(2-fluoro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-fluoro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
PubChem CID105024939
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC NameN-[(2-fluoro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(OC)c1F)C1OCCC1C
InChIInChI=1S/C16H24FNO2/c1-4-9-18-15(16-11(2)8-10-20-16)12-6-5-7-13(19-3)14(12)17/h5-7,11,15-16,18H,4,8-10H2,1-3H3
InChIKeyDUQTVCDJWIQBAE-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-fluoro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine 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-[(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 107516032
N-[(3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 115785515
N-[(3-ethylcyclopentyl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 82791518
N-[(4-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105022561
N-[1-benzothiophen-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105021865
N-[(3,5-dimethoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105013583
N-[(2-fluoro-3-methoxyphenyl)-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
CID 106445454
N-[(3-methoxypyrazin-2-yl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105031966
N-[isoquinolin-4-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 115856200
N-[(2-fluoro-3-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]ethanamine
CID 105025194
N-[2-(2-fluoro-3-methoxyphenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 105035660
N-[(2,3-dimethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 105147214

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-fluoro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine (CID 105024939) is N-[(2-fluoro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-fluoro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-fluoro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine is CCCNC(c1cccc(OC)c1F)C1OCCC1C.
What is the InChIKey of N-[(2-fluoro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine?
The InChIKey is DUQTVCDJWIQBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-4-9-18-15(16-11(2)8-10-20-16)12-6-5-7-13(19-3)14(12)17/h5-7,11,15-16,18H,4,8-10H2,1-3H3.
What are the key properties of N-[(2-fluoro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine?
N-[(2-fluoro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine has a molecular weight of 281.37 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 105024939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).