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

C15H17FN2 — CID 63076753

IUPAC3-N-[2-(4-fluorophenyl)ethyl]-2-methylbenzene-1,3-diamine
SMILESCc1c(N)cccc1NCCc1ccc(F)cc1
InChIInChI=1S/C15H17FN2/c1-11-14(17)3-2-4-15(11)18-10-9-12-5-7-13(16)8-6-12/h2-8,18H,9-10,17H2,1H3
InChIKeyAOCVEAWCKIOZTP-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.37
Rot. Bonds4

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

3-N-[2-(4-fluorophenyl)ethyl]-2-methylbenzene-1,3-diamine (PubChem CID 63076753) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 3-N-[2-(4-fluorophenyl)ethyl]-2-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[2-(4-fluorophenyl)ethyl]-2-methylbenzene-1,3-diamine
PubChem CID63076753
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name3-N-[2-(4-fluorophenyl)ethyl]-2-methylbenzene-1,3-diamine
SMILESCc1c(N)cccc1NCCc1ccc(F)cc1
InChIInChI=1S/C15H17FN2/c1-11-14(17)3-2-4-15(11)18-10-9-12-5-7-13(16)8-6-12/h2-8,18H,9-10,17H2,1H3
InChIKeyAOCVEAWCKIOZTP-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

3-N-[2-(4-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 63078168
4-[2-(3-amino-2-methylanilino)ethyl]phenol
CID 55146611
3-N-[2-(3-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 107844867
2-methyl-3-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,3-diamine
CID 80681480
2-methyl-3-N-[(4-methylphenyl)methyl]benzene-1,3-diamine
CID 55146226
2-N-[2-(4-ethylphenyl)ethyl]benzene-1,2-diamine
CID 115124545
N-[2-(4-fluorophenyl)ethyl]-3-methylaniline
CID 57041855
3-fluoro-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine
CID 115125830
4-(3-amino-2-methylanilino)butan-2-ol
CID 64928447
2-N-[2-(3,4-dimethylphenyl)ethyl]benzene-1,2-diamine
CID 115124548
3-N-[2-(diethylamino)ethyl]-2-methylbenzene-1,3-diamine
CID 63076066
4-bromo-5-fluoro-1-N-[2-(4-fluorophenyl)ethyl]benzene-1,2-diamine
CID 66112244

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(4-fluorophenyl)ethyl]-2-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-[2-(4-fluorophenyl)ethyl]-2-methylbenzene-1,3-diamine (CID 63076753) is 3-N-[2-(4-fluorophenyl)ethyl]-2-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-[2-(4-fluorophenyl)ethyl]-2-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-[2-(4-fluorophenyl)ethyl]-2-methylbenzene-1,3-diamine is Cc1c(N)cccc1NCCc1ccc(F)cc1.
What is the InChIKey of 3-N-[2-(4-fluorophenyl)ethyl]-2-methylbenzene-1,3-diamine?
The InChIKey is AOCVEAWCKIOZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-11-14(17)3-2-4-15(11)18-10-9-12-5-7-13(16)8-6-12/h2-8,18H,9-10,17H2,1H3.
What are the key properties of 3-N-[2-(4-fluorophenyl)ethyl]-2-methylbenzene-1,3-diamine?
3-N-[2-(4-fluorophenyl)ethyl]-2-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-(4-fluorophenyl)ethyl]-2-methylbenzene-1,3-diamine is sourced from PubChem (CID 63076753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).