1-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoro-5-methoxybenzene-1,4-diamine

C15H21FN2O — CID 107259258

IUPAC1-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoro-5-methoxybenzene-1,4-diamine
SMILESCOc1cc(NCC2CC3CCC2C3)c(F)cc1N
InChIInChI=1S/C15H21FN2O/c1-19-15-7-14(12(16)6-13(15)17)18-8-11-5-9-2-3-10(11)4-9/h6-7,9-11,18H,2-5,8,17H2,1H3
InChIKeyOZZFHYOVNMHLPA-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.26
Rot. Bonds4

About 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoro-5-methoxybenzene-1,4-diamine

1-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoro-5-methoxybenzene-1,4-diamine (PubChem CID 107259258) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoro-5-methoxybenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoro-5-methoxybenzene-1,4-diamine
PubChem CID107259258
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name1-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoro-5-methoxybenzene-1,4-diamine
SMILESCOc1cc(NCC2CC3CCC2C3)c(F)cc1N
InChIInChI=1S/C15H21FN2O/c1-19-15-7-14(12(16)6-13(15)17)18-8-11-5-9-2-3-10(11)4-9/h6-7,9-11,18H,2-5,8,17H2,1H3
InChIKeyOZZFHYOVNMHLPA-UHFFFAOYSA-N
XLogP3.26
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclohexan-1-ol
CID 106120262
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2,5-difluoroaniline
CID 107611175
1-N-[(2,2-dimethylcyclopropyl)methyl]-2-fluoro-5-methoxybenzene-1,4-diamine
CID 114107445
N-(2-bicyclo[2.2.1]heptanylmethyl)-2,4-difluoroaniline
CID 79554182
N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-difluoroaniline
CID 79554094
3-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methoxybenzene-1,3-diamine
CID 80736084
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-fluoroaniline
CID 79554177
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylbenzene-1,2-diamine
CID 63689970
1-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259201
4-(2-bicyclo[2.2.1]heptanylmethylamino)-3-fluorobenzonitrile
CID 62733661
1-N-tert-butyl-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258668
4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxybenzenesulfonamide
CID 81441291

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoro-5-methoxybenzene-1,4-diamine?
The IUPAC name of 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoro-5-methoxybenzene-1,4-diamine (CID 107259258) is 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoro-5-methoxybenzene-1,4-diamine.
What is the SMILES notation for 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoro-5-methoxybenzene-1,4-diamine?
The canonical SMILES for 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoro-5-methoxybenzene-1,4-diamine is COc1cc(NCC2CC3CCC2C3)c(F)cc1N.
What is the InChIKey of 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoro-5-methoxybenzene-1,4-diamine?
The InChIKey is OZZFHYOVNMHLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-19-15-7-14(12(16)6-13(15)17)18-8-11-5-9-2-3-10(11)4-9/h6-7,9-11,18H,2-5,8,17H2,1H3.
What are the key properties of 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoro-5-methoxybenzene-1,4-diamine?
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoro-5-methoxybenzene-1,4-diamine has a molecular weight of 264.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoro-5-methoxybenzene-1,4-diamine is sourced from PubChem (CID 107259258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).