5-fluoro-3-N-[2-(3-methylphenoxy)ethyl]benzene-1,3-diamine

C15H17FN2O — CID 55012619

IUPAC5-fluoro-3-N-[2-(3-methylphenoxy)ethyl]benzene-1,3-diamine
SMILESCc1cccc(OCCNc2cc(N)cc(F)c2)c1
InChIInChI=1S/C15H17FN2O/c1-11-3-2-4-15(7-11)19-6-5-18-14-9-12(16)8-13(17)10-14/h2-4,7-10,18H,5-6,17H2,1H3
InChIKeyDZKOPLZOFBFYOO-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.21
Rot. Bonds5

About 5-fluoro-3-N-[2-(3-methylphenoxy)ethyl]benzene-1,3-diamine

5-fluoro-3-N-[2-(3-methylphenoxy)ethyl]benzene-1,3-diamine (PubChem CID 55012619) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 5-fluoro-3-N-[2-(3-methylphenoxy)ethyl]benzene-1,3-diamine.

Molecular Properties

Compound Name5-fluoro-3-N-[2-(3-methylphenoxy)ethyl]benzene-1,3-diamine
PubChem CID55012619
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name5-fluoro-3-N-[2-(3-methylphenoxy)ethyl]benzene-1,3-diamine
SMILESCc1cccc(OCCNc2cc(N)cc(F)c2)c1
InChIInChI=1S/C15H17FN2O/c1-11-3-2-4-15(7-11)19-6-5-18-14-9-12(16)8-13(17)10-14/h2-4,7-10,18H,5-6,17H2,1H3
InChIKeyDZKOPLZOFBFYOO-UHFFFAOYSA-N
XLogP3.21
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methylphenoxy)ethyl]aniline
CID 54796212
2-methyl-4-N-[2-(3-methylphenoxy)ethyl]benzene-1,4-diamine
CID 55012527
5-fluoro-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine
CID 113286019
2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine
CID 55012620
5-chloro-6-fluoro-1-N-[2-(3-methylphenoxy)ethyl]benzene-1,2,4-triamine
CID 103552930
N-[2-(3-methylphenoxy)ethyl]-3-propan-2-yloxyaniline
CID 54802915
2-fluoro-4-[2-(3-methylphenoxy)ethylamino]benzenecarbothioamide
CID 115368176
5-fluoro-3-N-(3-methoxypropyl)benzene-1,3-diamine
CID 60874799
2-methyl-N-[2-(3-methylphenoxy)ethyl]aniline
CID 60679514
3-[4-(3-methylphenoxy)butoxy]aniline
CID 39109349
3-butoxy-N-[2-(3,5-dimethylphenoxy)ethyl]aniline
CID 54800670
5-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,4-diamine
CID 83266428

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-N-[2-(3-methylphenoxy)ethyl]benzene-1,3-diamine?
The IUPAC name of 5-fluoro-3-N-[2-(3-methylphenoxy)ethyl]benzene-1,3-diamine (CID 55012619) is 5-fluoro-3-N-[2-(3-methylphenoxy)ethyl]benzene-1,3-diamine.
What is the SMILES notation for 5-fluoro-3-N-[2-(3-methylphenoxy)ethyl]benzene-1,3-diamine?
The canonical SMILES for 5-fluoro-3-N-[2-(3-methylphenoxy)ethyl]benzene-1,3-diamine is Cc1cccc(OCCNc2cc(N)cc(F)c2)c1.
What is the InChIKey of 5-fluoro-3-N-[2-(3-methylphenoxy)ethyl]benzene-1,3-diamine?
The InChIKey is DZKOPLZOFBFYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-11-3-2-4-15(7-11)19-6-5-18-14-9-12(16)8-13(17)10-14/h2-4,7-10,18H,5-6,17H2,1H3.
What are the key properties of 5-fluoro-3-N-[2-(3-methylphenoxy)ethyl]benzene-1,3-diamine?
5-fluoro-3-N-[2-(3-methylphenoxy)ethyl]benzene-1,3-diamine has a molecular weight of 260.31 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-N-[2-(3-methylphenoxy)ethyl]benzene-1,3-diamine is sourced from PubChem (CID 55012619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).