N-cyclohexyl-8-(2,4-dichlorophenyl)-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridin-6-amine

C23H26Cl2N2O — CID 10180202

IUPACN-cyclohexyl-8-(2,4-dichlorophenyl)-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridin-6-amine
SMILESClc1ccc(-c2cc(NC3CCCCC3)c3c(c2)C2CNCCC2O3)c(Cl)c1
InChIInChI=1S/C23H26Cl2N2O/c24-15-6-7-17(20(25)12-15)14-10-18-19-13-26-9-8-22(19)28-23(18)21(11-14)27-16-4-2-1-3-5-16/h6-7,10-12,16,19,22,26-27H,1-5,8-9,13H2
InChIKeyUWDHBIGHOORGGE-UHFFFAOYSA-N
MW417.38 g/mol
LogP6.24
Rot. Bonds3

About N-cyclohexyl-8-(2,4-dichlorophenyl)-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridin-6-amine

N-cyclohexyl-8-(2,4-dichlorophenyl)-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridin-6-amine (PubChem CID 10180202) has the molecular formula C23H26Cl2N2O and a molecular weight of 417.38 g/mol. Its IUPAC name is N-cyclohexyl-8-(2,4-dichlorophenyl)-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridin-6-amine.

Molecular Properties

Compound NameN-cyclohexyl-8-(2,4-dichlorophenyl)-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridin-6-amine
PubChem CID10180202
Molecular FormulaC23H26Cl2N2O
Molecular Weight417.38 g/mol
Exact Mass416.14
IUPAC NameN-cyclohexyl-8-(2,4-dichlorophenyl)-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridin-6-amine
SMILESClc1ccc(-c2cc(NC3CCCCC3)c3c(c2)C2CNCCC2O3)c(Cl)c1
InChIInChI=1S/C23H26Cl2N2O/c24-15-6-7-17(20(25)12-15)14-10-18-19-13-26-9-8-22(19)28-23(18)21(11-14)27-16-4-2-1-3-5-16/h6-7,10-12,16,19,22,26-27H,1-5,8-9,13H2
InChIKeyUWDHBIGHOORGGE-UHFFFAOYSA-N
XLogP6.24
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.38
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-(4-chloro-2,6-difluorophenyl)-N-cyclohexyl-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridin-6-amine
CID 10295549
(4aS)-6-cyclohexyl-8-(2,4-dichlorophenyl)-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine
CID 142203317
(4aS,9bR)-6-cyclohexyl-8-(2,4-dichlorophenyl)-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine
CID 20741534
6-cyclohexyloxy-8-(2,4-dichlorophenyl)-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine
CID 10136777
(4aS,9bR)-8-(2,4-dichlorophenyl)-6-phenyl-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine
CID 20741546
(4aS,9bR)-8-(2,4-dichlorophenyl)-6-propan-2-ylsulfanyl-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine
CID 20741527
8-(2,4-dichlorophenyl)-6-propan-2-yloxy-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine
CID 10110175
8-(2,4-dichlorophenyl)-N,N-dipropyl-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridin-6-amine
CID 10273553
(9bR)-6-cyclohexyl-8-(2,4,6-trichlorophenyl)-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine
CID 142203290
6-pyrrolidin-1-yl-8-(2,4,6-trichlorophenyl)-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine
CID 23508088
(9bR)-8-(4-chloro-2,6-difluorophenyl)-6-cyclohexylsulfanyl-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine
CID 163884712
(4aS,9bR)-6-benzyl-8-(2,4,6-trichlorophenyl)-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine
CID 20741496

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-8-(2,4-dichlorophenyl)-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridin-6-amine?
The IUPAC name of N-cyclohexyl-8-(2,4-dichlorophenyl)-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridin-6-amine (CID 10180202) is N-cyclohexyl-8-(2,4-dichlorophenyl)-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridin-6-amine.
What is the SMILES notation for N-cyclohexyl-8-(2,4-dichlorophenyl)-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridin-6-amine?
The canonical SMILES for N-cyclohexyl-8-(2,4-dichlorophenyl)-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridin-6-amine is Clc1ccc(-c2cc(NC3CCCCC3)c3c(c2)C2CNCCC2O3)c(Cl)c1.
What is the InChIKey of N-cyclohexyl-8-(2,4-dichlorophenyl)-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridin-6-amine?
The InChIKey is UWDHBIGHOORGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N2O/c24-15-6-7-17(20(25)12-15)14-10-18-19-13-26-9-8-22(19)28-23(18)21(11-14)27-16-4-2-1-3-5-16/h6-7,10-12,16,19,22,26-27H,1-5,8-9,13H2.
What are the key properties of N-cyclohexyl-8-(2,4-dichlorophenyl)-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridin-6-amine?
N-cyclohexyl-8-(2,4-dichlorophenyl)-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridin-6-amine has a molecular weight of 417.38 g/mol, XLogP of 6.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-8-(2,4-dichlorophenyl)-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridin-6-amine is sourced from PubChem (CID 10180202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).