1-(3-fluoro-4-methylphenyl)-3-methoxy-N-methylbutan-1-amine

C13H20FNO — CID 107129129

IUPAC1-(3-fluoro-4-methylphenyl)-3-methoxy-N-methylbutan-1-amine
SMILESCNC(CC(C)OC)c1ccc(C)c(F)c1
InChIInChI=1S/C13H20FNO/c1-9-5-6-11(8-12(9)14)13(15-3)7-10(2)16-4/h5-6,8,10,13,15H,7H2,1-4H3
InChIKeyDUYCSXKRCOTXPK-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.82
Rot. Bonds5

About 1-(3-fluoro-4-methylphenyl)-3-methoxy-N-methylbutan-1-amine

1-(3-fluoro-4-methylphenyl)-3-methoxy-N-methylbutan-1-amine (PubChem CID 107129129) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-3-methoxy-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-3-methoxy-N-methylbutan-1-amine
PubChem CID107129129
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name1-(3-fluoro-4-methylphenyl)-3-methoxy-N-methylbutan-1-amine
SMILESCNC(CC(C)OC)c1ccc(C)c(F)c1
InChIInChI=1S/C13H20FNO/c1-9-5-6-11(8-12(9)14)13(15-3)7-10(2)16-4/h5-6,8,10,13,15H,7H2,1-4H3
InChIKeyDUYCSXKRCOTXPK-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-fluoro-4-methylphenyl)-3-methoxy-N-methylbutan-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

1-(3-fluoro-4-methylphenyl)-3-methoxy-N-propylbutan-1-amine
CID 107129130
3-ethyl-1-(3-fluoro-4-methylphenyl)-N-methylpentan-1-amine
CID 82922591
1-(3-fluoro-4-methylphenyl)-N,3-dimethylhexan-1-amine
CID 62599815
1-(3-fluoro-4-methylphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine
CID 102697233
1-(3-fluoro-4-methylphenyl)-N-methylbutan-1-amine
CID 60819926
1-(4-fluoro-3-methylphenyl)-3-methoxy-N-propylbutan-1-amine
CID 113391484
1-(3-fluoro-4-methylphenyl)-N-methyldecan-1-amine
CID 63413701
1-(2,3-dihydro-1H-inden-5-yl)-3-methoxy-N-methylbutan-1-amine
CID 114194469
1-(3-fluoro-4-methylphenyl)-N-methyl-2-phenylethanamine
CID 60820090
1-(3-fluoro-4-methylphenyl)-N,2-dimethylbutan-1-amine
CID 79446498
3-(3-fluoro-4-methylphenyl)-3-(methylamino)propanamide
CID 65236584
N-ethyl-1-(3-fluoro-4-methylphenyl)-3-methylbutan-1-amine
CID 60818718

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-methoxy-N-methylbutan-1-amine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-methoxy-N-methylbutan-1-amine (CID 107129129) is 1-(3-fluoro-4-methylphenyl)-3-methoxy-N-methylbutan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-3-methoxy-N-methylbutan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-3-methoxy-N-methylbutan-1-amine is CNC(CC(C)OC)c1ccc(C)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-3-methoxy-N-methylbutan-1-amine?
The InChIKey is DUYCSXKRCOTXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-9-5-6-11(8-12(9)14)13(15-3)7-10(2)16-4/h5-6,8,10,13,15H,7H2,1-4H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-3-methoxy-N-methylbutan-1-amine?
1-(3-fluoro-4-methylphenyl)-3-methoxy-N-methylbutan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-3-methoxy-N-methylbutan-1-amine is sourced from PubChem (CID 107129129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).