2-(2-fluorophenyl)-N-methyl-4-phenoxybutan-1-amine

C17H20FNO — CID 79439067

IUPAC2-(2-fluorophenyl)-N-methyl-4-phenoxybutan-1-amine
SMILESCNCC(CCOc1ccccc1)c1ccccc1F
InChIInChI=1S/C17H20FNO/c1-19-13-14(16-9-5-6-10-17(16)18)11-12-20-15-7-3-2-4-8-15/h2-10,14,19H,11-13H2,1H3
InChIKeyDEGXSGIOOOAVQK-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.60
Rot. Bonds7

About 2-(2-fluorophenyl)-N-methyl-4-phenoxybutan-1-amine

2-(2-fluorophenyl)-N-methyl-4-phenoxybutan-1-amine (PubChem CID 79439067) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-methyl-4-phenoxybutan-1-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-methyl-4-phenoxybutan-1-amine
PubChem CID79439067
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name2-(2-fluorophenyl)-N-methyl-4-phenoxybutan-1-amine
SMILESCNCC(CCOc1ccccc1)c1ccccc1F
InChIInChI=1S/C17H20FNO/c1-19-13-14(16-9-5-6-10-17(16)18)11-12-20-15-7-3-2-4-8-15/h2-10,14,19H,11-13H2,1H3
InChIKeyDEGXSGIOOOAVQK-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-fluorophenyl)-N-methyl-4-phenoxybutan-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

2-(2-bromophenyl)-N-methyl-4-phenoxybutan-1-amine
CID 79449002
4-butoxy-2-(2-fluorophenyl)-N-methylbutan-1-amine
CID 79439304
2-(2-fluorophenyl)-N,5,5-trimethylhexan-1-amine
CID 79439065
2-(2-fluorophenyl)-N-methyldodecan-1-amine
CID 79435505
1-[4-chloro-3-(2-fluorophenyl)butoxy]-4-methoxybenzene
CID 79438142
N-methyl-2-(2-phenoxyethyl)pentan-1-amine
CID 62528721
2-(2-fluorophenyl)-4-(2-methoxyethoxy)-N-(2-methoxyethyl)butan-1-amine
CID 79436793
4-butoxy-N-ethyl-2-(2-fluorophenyl)butan-1-amine
CID 79439765
2-(2-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 62107488
3-(2,3-difluorophenyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79439526
2-(2-fluorophenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine
CID 79439531
4-(3,4-dimethylphenoxy)-2-(2-fluorophenyl)butan-1-amine
CID 82138148

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-methyl-4-phenoxybutan-1-amine?
The IUPAC name of 2-(2-fluorophenyl)-N-methyl-4-phenoxybutan-1-amine (CID 79439067) is 2-(2-fluorophenyl)-N-methyl-4-phenoxybutan-1-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-methyl-4-phenoxybutan-1-amine?
The canonical SMILES for 2-(2-fluorophenyl)-N-methyl-4-phenoxybutan-1-amine is CNCC(CCOc1ccccc1)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-N-methyl-4-phenoxybutan-1-amine?
The InChIKey is DEGXSGIOOOAVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-19-13-14(16-9-5-6-10-17(16)18)11-12-20-15-7-3-2-4-8-15/h2-10,14,19H,11-13H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-N-methyl-4-phenoxybutan-1-amine?
2-(2-fluorophenyl)-N-methyl-4-phenoxybutan-1-amine has a molecular weight of 273.35 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-methyl-4-phenoxybutan-1-amine is sourced from PubChem (CID 79439067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).