2-N-[1-(4-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine

C15H17FN2 — CID 115550261

IUPAC2-N-[1-(4-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine
SMILESCc1cccc(N)c1NC(C)c1ccc(F)cc1
InChIInChI=1S/C15H17FN2/c1-10-4-3-5-14(17)15(10)18-11(2)12-6-8-13(16)9-7-12/h3-9,11,18H,17H2,1-2H3
InChIKeyDYZKDDBEEWTHQC-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.89
Rot. Bonds3

About 2-N-[1-(4-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine

2-N-[1-(4-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine (PubChem CID 115550261) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 2-N-[1-(4-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(4-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine
PubChem CID115550261
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name2-N-[1-(4-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine
SMILESCc1cccc(N)c1NC(C)c1ccc(F)cc1
InChIInChI=1S/C15H17FN2/c1-10-4-3-5-14(17)15(10)18-11(2)12-6-8-13(16)9-7-12/h3-9,11,18H,17H2,1-2H3
InChIKeyDYZKDDBEEWTHQC-UHFFFAOYSA-N
XLogP3.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.89
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

3-methyl-2-N-(1-pyridin-4-ylethyl)benzene-1,2-diamine
CID 113333687
N-[1-(4-fluorophenyl)ethyl]-2,4,6-trimethylaniline
CID 63448200
2-N-[1-(furan-2-yl)ethyl]-3-methylbenzene-1,2-diamine
CID 115550104
2-chloro-N-[1-(4-fluorophenyl)ethyl]-4-methylpyridin-3-amine
CID 65482956
2-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylbenzene-1,2-diamine
CID 113333720
2-N-tert-butyl-3-methylbenzene-1,2-diamine
CID 70363393
2-N-(3-ethylpentan-2-yl)-3-methylbenzene-1,2-diamine
CID 115550554
2,6-dibromo-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
CID 43126197
3-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-methylbenzenesulfonamide
CID 166343003
3-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43178604
2-(2-amino-6-methylanilino)propane-1,3-diol
CID 115550630
(2S)-2-(2-amino-6-methylanilino)-3-methylbutan-1-ol
CID 115550688

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(4-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-[1-(4-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine (CID 115550261) is 2-N-[1-(4-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-[1-(4-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-[1-(4-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine is Cc1cccc(N)c1NC(C)c1ccc(F)cc1.
What is the InChIKey of 2-N-[1-(4-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine?
The InChIKey is DYZKDDBEEWTHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-10-4-3-5-14(17)15(10)18-11(2)12-6-8-13(16)9-7-12/h3-9,11,18H,17H2,1-2H3.
What are the key properties of 2-N-[1-(4-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine?
2-N-[1-(4-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine has a molecular weight of 244.31 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(4-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine is sourced from PubChem (CID 115550261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).