6-chloro-N-(4-ethylcyclohexyl)-1,3-benzodioxol-5-amine

C15H20ClNO2 — CID 43685795

IUPAC6-chloro-N-(4-ethylcyclohexyl)-1,3-benzodioxol-5-amine
SMILESCCC1CCC(Nc2cc3c(cc2Cl)OCO3)CC1
InChIInChI=1S/C15H20ClNO2/c1-2-10-3-5-11(6-4-10)17-13-8-15-14(7-12(13)16)18-9-19-15/h7-8,10-11,17H,2-6,9H2,1H3
InChIKeySNSXPAWFXISQRV-UHFFFAOYSA-N
MW281.78 g/mol
LogP4.45
Rot. Bonds3

About 6-chloro-N-(4-ethylcyclohexyl)-1,3-benzodioxol-5-amine

6-chloro-N-(4-ethylcyclohexyl)-1,3-benzodioxol-5-amine (PubChem CID 43685795) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 6-chloro-N-(4-ethylcyclohexyl)-1,3-benzodioxol-5-amine.

Molecular Properties

Compound Name6-chloro-N-(4-ethylcyclohexyl)-1,3-benzodioxol-5-amine
PubChem CID43685795
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name6-chloro-N-(4-ethylcyclohexyl)-1,3-benzodioxol-5-amine
SMILESCCC1CCC(Nc2cc3c(cc2Cl)OCO3)CC1
InChIInChI=1S/C15H20ClNO2/c1-2-10-3-5-11(6-4-10)17-13-8-15-14(7-12(13)16)18-9-19-15/h7-8,10-11,17H,2-6,9H2,1H3
InChIKeySNSXPAWFXISQRV-UHFFFAOYSA-N
XLogP4.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(4-ethylcyclohexyl)-4-methylaniline
CID 28967824
N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-ethylcyclohexan-1-amine
CID 63454425
N-(2-chloro-4-iodophenyl)-4-ethylcycloheptan-1-amine
CID 65083669
6-chloro-N-pentan-3-yl-1,3-benzodioxol-5-amine
CID 43685886
6-chloro-N-octyl-1,3-benzodioxol-5-amine
CID 43685767
4-chloro-N-(4-ethylcyclohexyl)-2-methoxy-5-methylaniline
CID 29287778
6-chloro-N-(2-methylthiolan-3-yl)-1,3-benzodioxol-5-amine
CID 102672773
4-chloro-N-(4-ethylcyclohexyl)pyridin-3-amine
CID 83167830
6-chloro-N-pentyl-1,3-benzodioxol-5-amine
CID 43685737
1-N-(4-ethylcyclohexyl)-2-methylbenzene-1,4-diamine
CID 54955528
N-(4-ethylcyclohexyl)-2,3,5-trifluoroaniline
CID 55193534
2-chloro-N-(3-ethylcyclopentyl)-4-iodoaniline
CID 64502131

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-ethylcyclohexyl)-1,3-benzodioxol-5-amine?
The IUPAC name of 6-chloro-N-(4-ethylcyclohexyl)-1,3-benzodioxol-5-amine (CID 43685795) is 6-chloro-N-(4-ethylcyclohexyl)-1,3-benzodioxol-5-amine.
What is the SMILES notation for 6-chloro-N-(4-ethylcyclohexyl)-1,3-benzodioxol-5-amine?
The canonical SMILES for 6-chloro-N-(4-ethylcyclohexyl)-1,3-benzodioxol-5-amine is CCC1CCC(Nc2cc3c(cc2Cl)OCO3)CC1.
What is the InChIKey of 6-chloro-N-(4-ethylcyclohexyl)-1,3-benzodioxol-5-amine?
The InChIKey is SNSXPAWFXISQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-2-10-3-5-11(6-4-10)17-13-8-15-14(7-12(13)16)18-9-19-15/h7-8,10-11,17H,2-6,9H2,1H3.
What are the key properties of 6-chloro-N-(4-ethylcyclohexyl)-1,3-benzodioxol-5-amine?
6-chloro-N-(4-ethylcyclohexyl)-1,3-benzodioxol-5-amine has a molecular weight of 281.78 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-ethylcyclohexyl)-1,3-benzodioxol-5-amine is sourced from PubChem (CID 43685795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).