1-N-(3-ethylcyclohexyl)-4-fluoro-5-propoxybenzene-1,2-diamine

C17H27FN2O — CID 64748812

IUPAC1-N-(3-ethylcyclohexyl)-4-fluoro-5-propoxybenzene-1,2-diamine
SMILESCCCOc1cc(NC2CCCC(CC)C2)c(N)cc1F
InChIInChI=1S/C17H27FN2O/c1-3-8-21-17-11-16(15(19)10-14(17)18)20-13-7-5-6-12(4-2)9-13/h10-13,20H,3-9,19H2,1-2H3
InChIKeyVPGXJFIPEDBCSM-UHFFFAOYSA-N
MW294.41 g/mol
LogP4.58
Rot. Bonds6

About 1-N-(3-ethylcyclohexyl)-4-fluoro-5-propoxybenzene-1,2-diamine

1-N-(3-ethylcyclohexyl)-4-fluoro-5-propoxybenzene-1,2-diamine (PubChem CID 64748812) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 1-N-(3-ethylcyclohexyl)-4-fluoro-5-propoxybenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-ethylcyclohexyl)-4-fluoro-5-propoxybenzene-1,2-diamine
PubChem CID64748812
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name1-N-(3-ethylcyclohexyl)-4-fluoro-5-propoxybenzene-1,2-diamine
SMILESCCCOc1cc(NC2CCCC(CC)C2)c(N)cc1F
InChIInChI=1S/C17H27FN2O/c1-3-8-21-17-11-16(15(19)10-14(17)18)20-13-7-5-6-12(4-2)9-13/h10-13,20H,3-9,19H2,1-2H3
InChIKeyVPGXJFIPEDBCSM-UHFFFAOYSA-N
XLogP4.58
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 54.58
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)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259325
4-fluoro-1-N-(2-methylcyclopentyl)-5-propoxybenzene-1,2-diamine
CID 63592295
4-fluoro-5-propoxy-1-N-(thiolan-3-yl)benzene-1,2-diamine
CID 103062409
1-N-(3-ethylcyclohexyl)-2-fluorobenzene-1,4-diamine
CID 64749014
1-N-(3-ethylcyclohexyl)-3,5-difluorobenzene-1,2-diamine
CID 115507062
4-bromo-2-N-(3-ethylcyclohexyl)benzene-1,2-diamine
CID 65342365
4-(2-amino-5-ethoxy-4-fluoroanilino)cyclohexan-1-ol
CID 63592146
2-N-(cyclopentylmethyl)-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 55215889
4-fluoro-5-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine
CID 114543148
N-(3-ethylcyclopentyl)-4-methyl-2-propoxyaniline
CID 64501327
2-N-(1,1-dioxothian-3-yl)-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 63923493

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-ethylcyclohexyl)-4-fluoro-5-propoxybenzene-1,2-diamine?
The IUPAC name of 1-N-(3-ethylcyclohexyl)-4-fluoro-5-propoxybenzene-1,2-diamine (CID 64748812) is 1-N-(3-ethylcyclohexyl)-4-fluoro-5-propoxybenzene-1,2-diamine.
What is the SMILES notation for 1-N-(3-ethylcyclohexyl)-4-fluoro-5-propoxybenzene-1,2-diamine?
The canonical SMILES for 1-N-(3-ethylcyclohexyl)-4-fluoro-5-propoxybenzene-1,2-diamine is CCCOc1cc(NC2CCCC(CC)C2)c(N)cc1F.
What is the InChIKey of 1-N-(3-ethylcyclohexyl)-4-fluoro-5-propoxybenzene-1,2-diamine?
The InChIKey is VPGXJFIPEDBCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-3-8-21-17-11-16(15(19)10-14(17)18)20-13-7-5-6-12(4-2)9-13/h10-13,20H,3-9,19H2,1-2H3.
What are the key properties of 1-N-(3-ethylcyclohexyl)-4-fluoro-5-propoxybenzene-1,2-diamine?
1-N-(3-ethylcyclohexyl)-4-fluoro-5-propoxybenzene-1,2-diamine has a molecular weight of 294.41 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-ethylcyclohexyl)-4-fluoro-5-propoxybenzene-1,2-diamine is sourced from PubChem (CID 64748812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).