2-N-[2-(2,5-difluorophenyl)ethyl]-3-methylbenzene-1,2-diamine

C15H16F2N2 — CID 115126121

IUPAC2-N-[2-(2,5-difluorophenyl)ethyl]-3-methylbenzene-1,2-diamine
SMILESCc1cccc(N)c1NCCc1cc(F)ccc1F
InChIInChI=1S/C15H16F2N2/c1-10-3-2-4-14(18)15(10)19-8-7-11-9-12(16)5-6-13(11)17/h2-6,9,19H,7-8,18H2,1H3
InChIKeyMCUTUOKIBFWSNI-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.51
Rot. Bonds4

About 2-N-[2-(2,5-difluorophenyl)ethyl]-3-methylbenzene-1,2-diamine

2-N-[2-(2,5-difluorophenyl)ethyl]-3-methylbenzene-1,2-diamine (PubChem CID 115126121) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 2-N-[2-(2,5-difluorophenyl)ethyl]-3-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(2,5-difluorophenyl)ethyl]-3-methylbenzene-1,2-diamine
PubChem CID115126121
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC Name2-N-[2-(2,5-difluorophenyl)ethyl]-3-methylbenzene-1,2-diamine
SMILESCc1cccc(N)c1NCCc1cc(F)ccc1F
InChIInChI=1S/C15H16F2N2/c1-10-3-2-4-14(18)15(10)19-8-7-11-9-12(16)5-6-13(11)17/h2-6,9,19H,7-8,18H2,1H3
InChIKeyMCUTUOKIBFWSNI-UHFFFAOYSA-N
XLogP3.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-[2-(2,5-difluorophenyl)ethyl]-3-fluorobenzene-1,2-diamine
CID 115125843
2-N-[(2,5-difluorophenyl)methyl]-3-fluorobenzene-1,2-diamine
CID 112740496
2-N-[2-[di(propan-2-yl)amino]ethyl]-3-methylbenzene-1,2-diamine
CID 113333660
3-(2,5-difluorophenyl)-N-(2-ethyl-6-methylphenyl)propanamide
CID 60564582
3-fluoro-2-N-[2-(3-methylphenyl)ethyl]benzene-1,2-diamine
CID 115125852
N-[2-(2,5-difluorophenyl)ethyl]-2-methylpyridin-4-amine
CID 133492320
N'-[2-(2,5-difluorophenyl)ethyl]ethane-1,2-diamine
CID 115195405
3-fluoro-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine
CID 115125830
2-N-[2-(4-ethylphenyl)ethyl]-3-fluorobenzene-1,2-diamine
CID 115125831
2-N-[2-(2,4-difluorophenyl)ethyl]-4-fluorobenzene-1,2-diamine
CID 115124195
2-N-(2-ethoxyethyl)-3-methylbenzene-1,2-diamine
CID 115550147
2-[(2,5-difluorophenyl)methylsulfonyl]-6-methylaniline
CID 81187654

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2,5-difluorophenyl)ethyl]-3-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-[2-(2,5-difluorophenyl)ethyl]-3-methylbenzene-1,2-diamine (CID 115126121) is 2-N-[2-(2,5-difluorophenyl)ethyl]-3-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-[2-(2,5-difluorophenyl)ethyl]-3-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-[2-(2,5-difluorophenyl)ethyl]-3-methylbenzene-1,2-diamine is Cc1cccc(N)c1NCCc1cc(F)ccc1F.
What is the InChIKey of 2-N-[2-(2,5-difluorophenyl)ethyl]-3-methylbenzene-1,2-diamine?
The InChIKey is MCUTUOKIBFWSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-10-3-2-4-14(18)15(10)19-8-7-11-9-12(16)5-6-13(11)17/h2-6,9,19H,7-8,18H2,1H3.
What are the key properties of 2-N-[2-(2,5-difluorophenyl)ethyl]-3-methylbenzene-1,2-diamine?
2-N-[2-(2,5-difluorophenyl)ethyl]-3-methylbenzene-1,2-diamine has a molecular weight of 262.30 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2,5-difluorophenyl)ethyl]-3-methylbenzene-1,2-diamine is sourced from PubChem (CID 115126121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).