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

C15H17FN2 — CID 114041150

IUPAC1-N-[2-(2-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine
SMILESCc1cccc(NCCc2ccccc2F)c1N
InChIInChI=1S/C15H17FN2/c1-11-5-4-8-14(15(11)17)18-10-9-12-6-2-3-7-13(12)16/h2-8,18H,9-10,17H2,1H3
InChIKeyBKLHSSDTOWSBSL-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.37
Rot. Bonds4

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

1-N-[2-(2-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine (PubChem CID 114041150) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 1-N-[2-(2-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(2-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine
PubChem CID114041150
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name1-N-[2-(2-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine
SMILESCc1cccc(NCCc2ccccc2F)c1N
InChIInChI=1S/C15H17FN2/c1-11-5-4-8-14(15(11)17)18-10-9-12-6-2-3-7-13(12)16/h2-8,18H,9-10,17H2,1H3
InChIKeyBKLHSSDTOWSBSL-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-chloro-4-N-[2-(2-fluorophenyl)ethyl]-5-methylbenzene-1,4-diamine
CID 115554439
2-chloro-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-diamine
CID 28903455
2-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile
CID 107106323
4-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
CID 79763749
4-N-(2,3-dimethylphenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112873954
3-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 106259906
4-N-[2-(2-fluorophenyl)ethyl]quinoline-4,7-diamine
CID 103000150
5-N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4,5-diamine
CID 43554049
4-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile
CID 54934414
5-amino-2-[2-(2-fluorophenyl)ethylamino]benzamide
CID 61307952
N-[2-(2-fluorophenyl)ethyl]-2-methyl-5-nitroaniline
CID 62589948
2-chloro-6-[2-(2-fluorophenyl)ethylamino]benzenecarbothioamide
CID 62501596

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(2-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-[2-(2-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine (CID 114041150) is 1-N-[2-(2-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-[2-(2-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-[2-(2-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine is Cc1cccc(NCCc2ccccc2F)c1N.
What is the InChIKey of 1-N-[2-(2-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine?
The InChIKey is BKLHSSDTOWSBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-11-5-4-8-14(15(11)17)18-10-9-12-6-2-3-7-13(12)16/h2-8,18H,9-10,17H2,1H3.
What are the key properties of 1-N-[2-(2-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine?
1-N-[2-(2-fluorophenyl)ethyl]-3-methylbenzene-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 1-N-[2-(2-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine is sourced from PubChem (CID 114041150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).