1-(4-fluoro-3-methylphenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine

C17H21FN2 — CID 62122195

IUPAC1-(4-fluoro-3-methylphenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
SMILESCc1cccc(N(C)C(CN)c2ccc(F)c(C)c2)c1
InChIInChI=1S/C17H21FN2/c1-12-5-4-6-15(9-12)20(3)17(11-19)14-7-8-16(18)13(2)10-14/h4-10,17H,11,19H2,1-3H3
InChIKeySFMHARNDJGDMEZ-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.58
Rot. Bonds4

About 1-(4-fluoro-3-methylphenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine

1-(4-fluoro-3-methylphenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine (PubChem CID 62122195) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
PubChem CID62122195
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name1-(4-fluoro-3-methylphenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
SMILESCc1cccc(N(C)C(CN)c2ccc(F)c(C)c2)c1
InChIInChI=1S/C17H21FN2/c1-12-5-4-6-15(9-12)20(3)17(11-19)14-7-8-16(18)13(2)10-14/h4-10,17H,11,19H2,1-3H3
InChIKeySFMHARNDJGDMEZ-UHFFFAOYSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-3-methylphenyl)-N-methyl-N-phenylethane-1,2-diamine
CID 62121476
1-(3-chlorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 62001665
1-(4-fluoro-3-methylphenyl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 62121136
1-(2,3-difluorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 63668595
N-ethyl-1-(4-fluoro-3-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 62121848
1-(3-chloro-4-fluorophenyl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine
CID 81148330
1-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine
CID 62003703
1-(1-ethylpyrazol-4-yl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 103569563
N-methyl-N-(2-methylphenyl)-1-(3-methylphenyl)ethane-1,2-diamine
CID 62003718
1-(3-bromo-4-methylphenyl)-N-methyl-N-phenylethane-1,2-diamine
CID 105404647
3-[amino-(4-fluoro-3-methylphenyl)methyl]-N,N-dimethylaniline
CID 105142950
1-(2,6-difluorophenyl)-N-ethyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 61077098

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine (CID 62122195) is 1-(4-fluoro-3-methylphenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine is Cc1cccc(N(C)C(CN)c2ccc(F)c(C)c2)c1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine?
The InChIKey is SFMHARNDJGDMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-12-5-4-6-15(9-12)20(3)17(11-19)14-7-8-16(18)13(2)10-14/h4-10,17H,11,19H2,1-3H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine?
1-(4-fluoro-3-methylphenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine has a molecular weight of 272.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 62122195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).