N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-3-methyl-4-(2-phenylethyl)cyclohexan-1-amine

C23H30N2O2 — CID 149444187

IUPACN-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-3-methyl-4-(2-phenylethyl)cyclohexan-1-amine
SMILESCC1CC(NCc2cc3c(cn2)OCCO3)CCC1CCc1ccccc1
InChIInChI=1S/C23H30N2O2/c1-17-13-20(10-9-19(17)8-7-18-5-3-2-4-6-18)24-15-21-14-22-23(16-25-21)27-12-11-26-22/h2-6,14,16-17,19-20,24H,7-13,15H2,1H3
InChIKeyYWIVPJWCXFWBDV-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.38
Rot. Bonds6

About N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-3-methyl-4-(2-phenylethyl)cyclohexan-1-amine

N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-3-methyl-4-(2-phenylethyl)cyclohexan-1-amine (PubChem CID 149444187) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-3-methyl-4-(2-phenylethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-3-methyl-4-(2-phenylethyl)cyclohexan-1-amine
PubChem CID149444187
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-3-methyl-4-(2-phenylethyl)cyclohexan-1-amine
SMILESCC1CC(NCc2cc3c(cn2)OCCO3)CCC1CCc1ccccc1
InChIInChI=1S/C23H30N2O2/c1-17-13-20(10-9-19(17)8-7-18-5-3-2-4-6-18)24-15-21-14-22-23(16-25-21)27-12-11-26-22/h2-6,14,16-17,19-20,24H,7-13,15H2,1H3
InChIKeyYWIVPJWCXFWBDV-UHFFFAOYSA-N
XLogP4.38
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-3-methyl-4-(2-phenylethyl)cyclohexan-1-amine?
The IUPAC name of N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-3-methyl-4-(2-phenylethyl)cyclohexan-1-amine (CID 149444187) is N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-3-methyl-4-(2-phenylethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-3-methyl-4-(2-phenylethyl)cyclohexan-1-amine?
The canonical SMILES for N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-3-methyl-4-(2-phenylethyl)cyclohexan-1-amine is CC1CC(NCc2cc3c(cn2)OCCO3)CCC1CCc1ccccc1.
What is the InChIKey of N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-3-methyl-4-(2-phenylethyl)cyclohexan-1-amine?
The InChIKey is YWIVPJWCXFWBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-17-13-20(10-9-19(17)8-7-18-5-3-2-4-6-18)24-15-21-14-22-23(16-25-21)27-12-11-26-22/h2-6,14,16-17,19-20,24H,7-13,15H2,1H3.
What are the key properties of N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-3-methyl-4-(2-phenylethyl)cyclohexan-1-amine?
N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-3-methyl-4-(2-phenylethyl)cyclohexan-1-amine has a molecular weight of 366.51 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-3-methyl-4-(2-phenylethyl)cyclohexan-1-amine is sourced from PubChem (CID 149444187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).