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

C17H22FN3 — CID 62120076

IUPAC1-(4-fluoro-3-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
SMILESCc1cc(C(CN)N(C)CCc2ccccn2)ccc1F
InChIInChI=1S/C17H22FN3/c1-13-11-14(6-7-16(13)18)17(12-19)21(2)10-8-15-5-3-4-9-20-15/h3-7,9,11,17H,8,10,12,19H2,1-2H3
InChIKeyQPJLFBVCTKGAGC-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.70
Rot. Bonds6

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

1-(4-fluoro-3-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine (PubChem CID 62120076) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
PubChem CID62120076
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name1-(4-fluoro-3-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
SMILESCc1cc(C(CN)N(C)CCc2ccccn2)ccc1F
InChIInChI=1S/C17H22FN3/c1-13-11-14(6-7-16(13)18)17(12-19)21(2)10-8-15-5-3-4-9-20-15/h3-7,9,11,17H,8,10,12,19H2,1-2H3
InChIKeyQPJLFBVCTKGAGC-UHFFFAOYSA-N
XLogP2.70
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluoro-3-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-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

1-(3-bromo-4-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 105404697
1-(4-bromo-2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 43364611
1-(2-methoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 43187219
1-(4-fluoro-3-methylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105143030
1-(4-fluoro-3-methylphenyl)-N-methyl-N-phenylethane-1,2-diamine
CID 62121476
1-(4-chlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 43564825
1-(4-fluoro-3-methylphenyl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 62121136
3-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine
CID 43187234
1-(4-chloro-2-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 114842894
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 115989833
1-(3,4-difluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271010

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine (CID 62120076) is 1-(4-fluoro-3-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine is Cc1cc(C(CN)N(C)CCc2ccccn2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine?
The InChIKey is QPJLFBVCTKGAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-13-11-14(6-7-16(13)18)17(12-19)21(2)10-8-15-5-3-4-9-20-15/h3-7,9,11,17H,8,10,12,19H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine?
1-(4-fluoro-3-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine has a molecular weight of 287.38 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 62120076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).