N-[2-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)ethyl]cyclopropanamine

C16H20N2O2 — CID 98033464

IUPACN-[2-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)ethyl]cyclopropanamine
SMILESCn1cc(CCNC2CC2)c2cc3c(cc21)OCCO3
InChIInChI=1S/C16H20N2O2/c1-18-10-11(4-5-17-12-2-3-12)13-8-15-16(9-14(13)18)20-7-6-19-15/h8-10,12,17H,2-7H2,1H3
InChIKeyHFPYSRRDGYRIAC-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.24
Rot. Bonds4

About N-[2-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)ethyl]cyclopropanamine

N-[2-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)ethyl]cyclopropanamine (PubChem CID 98033464) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[2-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)ethyl]cyclopropanamine
PubChem CID98033464
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[2-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)ethyl]cyclopropanamine
SMILESCn1cc(CCNC2CC2)c2cc3c(cc21)OCCO3
InChIInChI=1S/C16H20N2O2/c1-18-10-11(4-5-17-12-2-3-12)13-8-15-16(9-14(13)18)20-7-6-19-15/h8-10,12,17H,2-7H2,1H3
InChIKeyHFPYSRRDGYRIAC-UHFFFAOYSA-N
XLogP2.24
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)ethyl]cyclopropanamine (CID 98033464) is N-[2-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)ethyl]cyclopropanamine is Cn1cc(CCNC2CC2)c2cc3c(cc21)OCCO3.
What is the InChIKey of N-[2-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)ethyl]cyclopropanamine?
The InChIKey is HFPYSRRDGYRIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-18-10-11(4-5-17-12-2-3-12)13-8-15-16(9-14(13)18)20-7-6-19-15/h8-10,12,17H,2-7H2,1H3.
What are the key properties of N-[2-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)ethyl]cyclopropanamine?
N-[2-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)ethyl]cyclopropanamine has a molecular weight of 272.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 98033464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).