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

C15H23FN2 — CID 62376796

IUPAC4-fluoro-2-N-(4-propylcyclohexyl)benzene-1,2-diamine
SMILESCCCC1CCC(Nc2cc(F)ccc2N)CC1
InChIInChI=1S/C15H23FN2/c1-2-3-11-4-7-13(8-5-11)18-15-10-12(16)6-9-14(15)17/h6,9-11,13,18H,2-5,7-8,17H2,1H3
InChIKeyVHLRKQGFWYNONU-UHFFFAOYSA-N
MW250.36 g/mol
LogP4.18
Rot. Bonds4

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

4-fluoro-2-N-(4-propylcyclohexyl)benzene-1,2-diamine (PubChem CID 62376796) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 4-fluoro-2-N-(4-propylcyclohexyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-2-N-(4-propylcyclohexyl)benzene-1,2-diamine
PubChem CID62376796
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name4-fluoro-2-N-(4-propylcyclohexyl)benzene-1,2-diamine
SMILESCCCC1CCC(Nc2cc(F)ccc2N)CC1
InChIInChI=1S/C15H23FN2/c1-2-3-11-4-7-13(8-5-11)18-15-10-12(16)6-9-14(15)17/h6,9-11,13,18H,2-5,7-8,17H2,1H3
InChIKeyVHLRKQGFWYNONU-UHFFFAOYSA-N
XLogP4.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-N-(4-propylcyclohexyl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-2-N-(4-propylcyclohexyl)benzene-1,2-diamine (CID 62376796) is 4-fluoro-2-N-(4-propylcyclohexyl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-2-N-(4-propylcyclohexyl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-2-N-(4-propylcyclohexyl)benzene-1,2-diamine is CCCC1CCC(Nc2cc(F)ccc2N)CC1.
What is the InChIKey of 4-fluoro-2-N-(4-propylcyclohexyl)benzene-1,2-diamine?
The InChIKey is VHLRKQGFWYNONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-2-3-11-4-7-13(8-5-11)18-15-10-12(16)6-9-14(15)17/h6,9-11,13,18H,2-5,7-8,17H2,1H3.
What are the key properties of 4-fluoro-2-N-(4-propylcyclohexyl)benzene-1,2-diamine?
4-fluoro-2-N-(4-propylcyclohexyl)benzene-1,2-diamine has a molecular weight of 250.36 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-N-(4-propylcyclohexyl)benzene-1,2-diamine is sourced from PubChem (CID 62376796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).