1-(4-fluoro-2-methylphenyl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine

C17H21FN2O — CID 62135493

IUPAC1-(4-fluoro-2-methylphenyl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine
SMILESCOc1cccc(N(C)C(CN)c2ccc(F)cc2C)c1
InChIInChI=1S/C17H21FN2O/c1-12-9-13(18)7-8-16(12)17(11-19)20(2)14-5-4-6-15(10-14)21-3/h4-10,17H,11,19H2,1-3H3
InChIKeyPAFKGYUXZNXLCK-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.28
Rot. Bonds5

About 1-(4-fluoro-2-methylphenyl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine

1-(4-fluoro-2-methylphenyl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine (PubChem CID 62135493) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine
PubChem CID62135493
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name1-(4-fluoro-2-methylphenyl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine
SMILESCOc1cccc(N(C)C(CN)c2ccc(F)cc2C)c1
InChIInChI=1S/C17H21FN2O/c1-12-9-13(18)7-8-16(12)17(11-19)20(2)14-5-4-6-15(10-14)21-3/h4-10,17H,11,19H2,1-3H3
InChIKeyPAFKGYUXZNXLCK-UHFFFAOYSA-N
XLogP3.28
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine
CID 81148330
1-(4-bromo-5-methylthiophen-2-yl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine
CID 102838954
2-[2-amino-1-(N-methylanilino)ethyl]-5-methoxyphenol
CID 82043143
N-(3-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethane-1,2-diamine
CID 63986634
1-(2,4-difluorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine
CID 62002988
1-(4-fluoro-2-methylphenyl)-2-(3-methoxyphenyl)ethanol
CID 55115802
1-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine
CID 62002810
1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 62135312
1-(4-fluoro-2-methylphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82949339
2-(2-aminoethyl)-4-fluoro-N-(3-methoxyphenyl)-N-methylaniline
CID 63786185
1-(2,3-difluorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 63668595
1-(4-fluoro-2-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 62136494

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine (CID 62135493) is 1-(4-fluoro-2-methylphenyl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine is COc1cccc(N(C)C(CN)c2ccc(F)cc2C)c1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine?
The InChIKey is PAFKGYUXZNXLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-12-9-13(18)7-8-16(12)17(11-19)20(2)14-5-4-6-15(10-14)21-3/h4-10,17H,11,19H2,1-3H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine?
1-(4-fluoro-2-methylphenyl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine has a molecular weight of 288.37 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 62135493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).