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

C15H17FN2 — CID 112647165

IUPAC3-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzene-1,3-diamine
SMILESCc1cc(N)cc(NCCc2cccc(F)c2)c1
InChIInChI=1S/C15H17FN2/c1-11-7-14(17)10-15(8-11)18-6-5-12-3-2-4-13(16)9-12/h2-4,7-10,18H,5-6,17H2,1H3
InChIKeyAMTLJUYVFNGYAL-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.37
Rot. Bonds4

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

3-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzene-1,3-diamine (PubChem CID 112647165) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 3-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzene-1,3-diamine
PubChem CID112647165
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name3-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzene-1,3-diamine
SMILESCc1cc(N)cc(NCCc2cccc(F)c2)c1
InChIInChI=1S/C15H17FN2/c1-11-7-14(17)10-15(8-11)18-6-5-12-3-2-4-13(16)9-12/h2-4,7-10,18H,5-6,17H2,1H3
InChIKeyAMTLJUYVFNGYAL-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

6-chloro-2-N-[2-(3-fluorophenyl)ethyl]pyridine-2,4-diamine
CID 104923773
4-fluoro-N-[2-(3-methylphenyl)ethyl]aniline
CID 22960583
4-N-[2-(3-methylphenyl)ethyl]benzene-1,2,4-triamine
CID 106750720
5-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine
CID 112646911
3-chloro-2-N-[2-(3-fluorophenyl)ethyl]benzene-1,2-diamine
CID 43566180
N-[2-(4-fluorophenyl)ethyl]-3-methylaniline
CID 57041855
3-N-[2-(3-fluorophenyl)ethyl]-1-methylpyrazole-3,4-diamine
CID 103078066
N-[2-(3-fluorophenyl)ethyl]-4-methyl-3-nitroaniline
CID 62911771
4-[2-(3,5-dimethylanilino)ethyl]phenol
CID 170698256
N-[2-(4-iodophenyl)ethyl]-3,5-dimethylaniline
CID 139263974
3-N-[2-(dimethylamino)ethyl]-5-methylbenzene-1,3-diamine
CID 112646930
2-[2-(3-fluorophenyl)ethylamino]-4-methylbenzoic acid
CID 63511362

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzene-1,3-diamine (CID 112647165) is 3-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzene-1,3-diamine is Cc1cc(N)cc(NCCc2cccc(F)c2)c1.
What is the InChIKey of 3-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzene-1,3-diamine?
The InChIKey is AMTLJUYVFNGYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-11-7-14(17)10-15(8-11)18-6-5-12-3-2-4-13(16)9-12/h2-4,7-10,18H,5-6,17H2,1H3.
What are the key properties of 3-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzene-1,3-diamine?
3-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzene-1,3-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-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzene-1,3-diamine is sourced from PubChem (CID 112647165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).