3-fluoro-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine

C15H17FN2 — CID 115125830

IUPAC3-fluoro-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine
SMILESCc1ccc(CCNc2c(N)cccc2F)cc1
InChIInChI=1S/C15H17FN2/c1-11-5-7-12(8-6-11)9-10-18-15-13(16)3-2-4-14(15)17/h2-8,18H,9-10,17H2,1H3
InChIKeyWCWWYZQAEGEGNN-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.37
Rot. Bonds4

About 3-fluoro-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine

3-fluoro-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine (PubChem CID 115125830) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 3-fluoro-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3-fluoro-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine
PubChem CID115125830
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name3-fluoro-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine
SMILESCc1ccc(CCNc2c(N)cccc2F)cc1
InChIInChI=1S/C15H17FN2/c1-11-5-7-12(8-6-11)9-10-18-15-13(16)3-2-4-14(15)17/h2-8,18H,9-10,17H2,1H3
InChIKeyWCWWYZQAEGEGNN-UHFFFAOYSA-N
XLogP3.37
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.37
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-(4-ethylphenyl)ethyl]-3-fluorobenzene-1,2-diamine
CID 115125831
3-fluoro-2-N-[2-(3-methylphenyl)ethyl]benzene-1,2-diamine
CID 115125852
3-fluoro-2-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine
CID 115125857
3-fluoro-2-N-(2-methoxyethyl)benzene-1,2-diamine
CID 53255758
3-fluoro-2-N-[(3-methylphenyl)methyl]benzene-1,2-diamine
CID 115125763
2-N-[2-(2,5-difluorophenyl)ethyl]-3-fluorobenzene-1,2-diamine
CID 115125843
2-N-(3,3-difluoropropyl)-3-fluorobenzene-1,2-diamine
CID 131093444
3-fluoro-2-N-(4-methylpentyl)benzene-1,2-diamine
CID 115125827
2-N-[(2,4-dimethylphenyl)methyl]-3-fluorobenzene-1,2-diamine
CID 115125736
3-N-[2-(4-fluorophenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 63076753
2-N-[2-(5-bromothiophen-2-yl)ethyl]-3-fluorobenzene-1,2-diamine
CID 115125840
3-fluoro-2-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine
CID 115125725

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine?
The IUPAC name of 3-fluoro-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine (CID 115125830) is 3-fluoro-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 3-fluoro-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine?
The canonical SMILES for 3-fluoro-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine is Cc1ccc(CCNc2c(N)cccc2F)cc1.
What is the InChIKey of 3-fluoro-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine?
The InChIKey is WCWWYZQAEGEGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-11-5-7-12(8-6-11)9-10-18-15-13(16)3-2-4-14(15)17/h2-8,18H,9-10,17H2,1H3.
What are the key properties of 3-fluoro-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine?
3-fluoro-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine has a molecular weight of 244.31 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 115125830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).