1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine

C13H21FN2O — CID 54946554

IUPAC1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
SMILESCOCC(C)N(C)C(CN)c1ccc(F)cc1
InChIInChI=1S/C13H21FN2O/c1-10(9-17-3)16(2)13(8-15)11-4-6-12(14)7-5-11/h4-7,10,13H,8-9,15H2,1-3H3
InChIKeyLZLPBEKAJIZWOC-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.79
Rot. Bonds6

About 1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine

1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine (PubChem CID 54946554) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
PubChem CID54946554
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
SMILESCOCC(C)N(C)C(CN)c1ccc(F)cc1
InChIInChI=1S/C13H21FN2O/c1-10(9-17-3)16(2)13(8-15)11-4-6-12(14)7-5-11/h4-7,10,13H,8-9,15H2,1-3H3
InChIKeyLZLPBEKAJIZWOC-UHFFFAOYSA-N
XLogP1.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine 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-butan-2-yl-1-(4-fluorophenyl)-N-methylethane-1,2-diamine
CID 43272751
1-[3-(difluoromethyl)phenyl]-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
CID 115526828
1-(furan-3-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
CID 63208600
1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
CID 61453536
1-(4-fluorophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 54987179
1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43271936
1-(4-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271043
1-fluoro-4-[(2S)-1-methoxypropan-2-yl]benzene
CID 118373947
1-[4-(difluoromethyl)phenyl]-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 115524252
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 61420134
N-ethyl-1-(4-ethylphenyl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 55011210
N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 64769908

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine (CID 54946554) is 1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine is COCC(C)N(C)C(CN)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine?
The InChIKey is LZLPBEKAJIZWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-10(9-17-3)16(2)13(8-15)11-4-6-12(14)7-5-11/h4-7,10,13H,8-9,15H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine?
1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine has a molecular weight of 240.32 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 54946554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).