4-fluoro-1-N-(2-methylcyclopentyl)-5-propoxybenzene-1,2-diamine

C15H23FN2O — CID 63592295

IUPAC4-fluoro-1-N-(2-methylcyclopentyl)-5-propoxybenzene-1,2-diamine
SMILESCCCOc1cc(NC2CCCC2C)c(N)cc1F
InChIInChI=1S/C15H23FN2O/c1-3-7-19-15-9-14(12(17)8-11(15)16)18-13-6-4-5-10(13)2/h8-10,13,18H,3-7,17H2,1-2H3
InChIKeySUPDCFDMWZQJJN-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.80
Rot. Bonds5

About 4-fluoro-1-N-(2-methylcyclopentyl)-5-propoxybenzene-1,2-diamine

4-fluoro-1-N-(2-methylcyclopentyl)-5-propoxybenzene-1,2-diamine (PubChem CID 63592295) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-fluoro-1-N-(2-methylcyclopentyl)-5-propoxybenzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-1-N-(2-methylcyclopentyl)-5-propoxybenzene-1,2-diamine
PubChem CID63592295
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name4-fluoro-1-N-(2-methylcyclopentyl)-5-propoxybenzene-1,2-diamine
SMILESCCCOc1cc(NC2CCCC2C)c(N)cc1F
InChIInChI=1S/C15H23FN2O/c1-3-7-19-15-9-14(12(17)8-11(15)16)18-13-6-4-5-10(13)2/h8-10,13,18H,3-7,17H2,1-2H3
InChIKeySUPDCFDMWZQJJN-UHFFFAOYSA-N
XLogP3.80
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.80
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

1-N-(3,4-dimethylcyclohexyl)-4-fluoro-5-propoxybenzene-1,2-diamine
CID 64740895
1-N-(3-ethylcyclohexyl)-4-fluoro-5-propoxybenzene-1,2-diamine
CID 64748812
4-fluoro-5-methyl-1-N-(2-methylcyclopentyl)benzene-1,2-diamine
CID 103590389
4-bromo-5-fluoro-2-N-(2-methylcyclopentyl)benzene-1,2-diamine
CID 116735934
4-fluoro-5-propoxy-1-N-(thiolan-3-yl)benzene-1,2-diamine
CID 103062409
4-methyl-N-(2-methylcyclopentyl)-2-propoxyaniline
CID 65045783
2-N-(1,3-dimethylpiperidin-4-yl)-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 114503017
4-bromo-5-fluoro-1-N-(2-methylcyclopentyl)benzene-1,2-diamine
CID 66109766
4-ethoxy-5-fluoro-2-N-[(2-methylcyclopentyl)methyl]benzene-1,2-diamine
CID 107416598
4-ethoxy-2-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine
CID 64920927
4-ethoxy-5-fluoro-2-N-(2-propylcyclopropyl)benzene-1,2-diamine
CID 114110430
3-N-(2-methylcyclopentyl)-5-propoxybenzene-1,3-diamine
CID 80735235

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-N-(2-methylcyclopentyl)-5-propoxybenzene-1,2-diamine?
The IUPAC name of 4-fluoro-1-N-(2-methylcyclopentyl)-5-propoxybenzene-1,2-diamine (CID 63592295) is 4-fluoro-1-N-(2-methylcyclopentyl)-5-propoxybenzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-1-N-(2-methylcyclopentyl)-5-propoxybenzene-1,2-diamine?
The canonical SMILES for 4-fluoro-1-N-(2-methylcyclopentyl)-5-propoxybenzene-1,2-diamine is CCCOc1cc(NC2CCCC2C)c(N)cc1F.
What is the InChIKey of 4-fluoro-1-N-(2-methylcyclopentyl)-5-propoxybenzene-1,2-diamine?
The InChIKey is SUPDCFDMWZQJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-7-19-15-9-14(12(17)8-11(15)16)18-13-6-4-5-10(13)2/h8-10,13,18H,3-7,17H2,1-2H3.
What are the key properties of 4-fluoro-1-N-(2-methylcyclopentyl)-5-propoxybenzene-1,2-diamine?
4-fluoro-1-N-(2-methylcyclopentyl)-5-propoxybenzene-1,2-diamine has a molecular weight of 266.36 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-N-(2-methylcyclopentyl)-5-propoxybenzene-1,2-diamine is sourced from PubChem (CID 63592295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).