N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine

C13H20FNO2 — CID 104791736

IUPACN-[(2-fluoro-3-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine
SMILESCOCC(C)CNCc1cccc(OC)c1F
InChIInChI=1S/C13H20FNO2/c1-10(9-16-2)7-15-8-11-5-4-6-12(17-3)13(11)14/h4-6,10,15H,7-9H2,1-3H3
InChIKeyBXXFCLQIZJPGJM-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.21
Rot. Bonds7

About N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine

N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine (PubChem CID 104791736) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-fluoro-3-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine
PubChem CID104791736
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC NameN-[(2-fluoro-3-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine
SMILESCOCC(C)CNCc1cccc(OC)c1F
InChIInChI=1S/C13H20FNO2/c1-10(9-16-2)7-15-8-11-5-4-6-12(17-3)13(11)14/h4-6,10,15H,7-9H2,1-3H3
InChIKeyBXXFCLQIZJPGJM-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-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-fluoro-3-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 104791777
N-[(2-fluoro-3-nitrophenyl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 107349107
4-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methoxybutan-2-ol
CID 114163606
N-[(2-chloro-5-fluorophenyl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 102615629
1-(2-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 104791604
2-[[(3-methoxy-2-methylpropyl)amino]methyl]-6-methylphenol
CID 112554372
3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]hexan-1-ol
CID 106115405
N-[(2-fluoro-3-methoxyphenyl)methyl]prop-2-en-1-amine
CID 104791408
N-chloro-1-(2-fluoro-3-methoxyphenyl)methanamine
CID 89169985
2,2,3,3-tetrafluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 106291983
N-[(2-fluoro-3-methoxyphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 104791785
(2R)-N-[(2-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 28612668

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine?
The IUPAC name of N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine (CID 104791736) is N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine?
The canonical SMILES for N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine is COCC(C)CNCc1cccc(OC)c1F.
What is the InChIKey of N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine?
The InChIKey is BXXFCLQIZJPGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-10(9-16-2)7-15-8-11-5-4-6-12(17-3)13(11)14/h4-6,10,15H,7-9H2,1-3H3.
What are the key properties of N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine?
N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine has a molecular weight of 241.31 g/mol, XLogP of 2.21, 7 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)methyl]-3-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 104791736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).