4-fluoro-2-N-(4-methoxybutyl)benzene-1,2-diamine

C11H17FN2O — CID 58355547

IUPAC4-fluoro-2-N-(4-methoxybutyl)benzene-1,2-diamine
SMILESCOCCCCNc1cc(F)ccc1N
InChIInChI=1S/C11H17FN2O/c1-15-7-3-2-6-14-11-8-9(12)4-5-10(11)13/h4-5,8,14H,2-3,6-7,13H2,1H3
InChIKeyMYPQLWFUNXARIC-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.25
Rot. Bonds6

About 4-fluoro-2-N-(4-methoxybutyl)benzene-1,2-diamine

4-fluoro-2-N-(4-methoxybutyl)benzene-1,2-diamine (PubChem CID 58355547) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 4-fluoro-2-N-(4-methoxybutyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-2-N-(4-methoxybutyl)benzene-1,2-diamine
PubChem CID58355547
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name4-fluoro-2-N-(4-methoxybutyl)benzene-1,2-diamine
SMILESCOCCCCNc1cc(F)ccc1N
InChIInChI=1S/C11H17FN2O/c1-15-7-3-2-6-14-11-8-9(12)4-5-10(11)13/h4-5,8,14H,2-3,6-7,13H2,1H3
InChIKeyMYPQLWFUNXARIC-UHFFFAOYSA-N
XLogP2.25
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.25
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

4-bromo-2-N-(4-methoxybutyl)benzene-1,2-diamine
CID 65342774
2,4-difluoro-N-(4-methoxybutyl)aniline
CID 115776867
4-(2-amino-5-fluoroanilino)butan-1-ol
CID 58656023
4-bromo-2-N-(3-methoxypropyl)benzene-1,2-diamine
CID 65343412
N-[3-(2-amino-5-fluoroanilino)propyl]methanesulfonamide
CID 106333751
4-ethoxy-5-fluoro-2-N-(4-methoxybutyl)benzene-1,2-diamine
CID 63594299
2,5-difluoro-N-(2-methoxyethyl)aniline
CID 28574542
5-chloro-2-fluoro-N-(4-methoxybutyl)aniline
CID 115735656
2,3,4-trifluoro-N-(4-methoxybutyl)aniline
CID 115735659
5-fluoro-2-(4-methoxybutoxy)aniline
CID 104646776
4-(2-amino-5-fluoroanilino)butan-2-ol
CID 64927265
5-fluoro-2-(3-methoxypropylamino)benzonitrile
CID 63674796

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-N-(4-methoxybutyl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-2-N-(4-methoxybutyl)benzene-1,2-diamine (CID 58355547) is 4-fluoro-2-N-(4-methoxybutyl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-2-N-(4-methoxybutyl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-2-N-(4-methoxybutyl)benzene-1,2-diamine is COCCCCNc1cc(F)ccc1N.
What is the InChIKey of 4-fluoro-2-N-(4-methoxybutyl)benzene-1,2-diamine?
The InChIKey is MYPQLWFUNXARIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-15-7-3-2-6-14-11-8-9(12)4-5-10(11)13/h4-5,8,14H,2-3,6-7,13H2,1H3.
What are the key properties of 4-fluoro-2-N-(4-methoxybutyl)benzene-1,2-diamine?
4-fluoro-2-N-(4-methoxybutyl)benzene-1,2-diamine has a molecular weight of 212.27 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-N-(4-methoxybutyl)benzene-1,2-diamine is sourced from PubChem (CID 58355547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).