N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopropanamine

C14H19NO2 — CID 82475603

IUPACN-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopropanamine
SMILESCc1cc2c(cc1CCNC1CC1)OCCO2
InChIInChI=1S/C14H19NO2/c1-10-8-13-14(17-7-6-16-13)9-11(10)4-5-15-12-2-3-12/h8-9,12,15H,2-7H2,1H3
InChIKeyYLEUFUVIZJXGGK-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.06
Rot. Bonds4

About N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopropanamine

N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopropanamine (PubChem CID 82475603) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopropanamine
PubChem CID82475603
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopropanamine
SMILESCc1cc2c(cc1CCNC1CC1)OCCO2
InChIInChI=1S/C14H19NO2/c1-10-8-13-14(17-7-6-16-13)9-11(10)4-5-15-12-2-3-12/h8-9,12,15H,2-7H2,1H3
InChIKeyYLEUFUVIZJXGGK-UHFFFAOYSA-N
XLogP2.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)ethyl]cyclopropanamine
CID 98033464
6-(2-chloroethyl)-7-methyl-2,3-dihydro-1,4-benzodioxine
CID 82470956
3-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]propanoic acid
CID 112519656
6-(3-chloropropyl)-7-methyl-2,3-dihydro-1,4-benzodioxine
CID 116926663
1-cyano-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]formamide
CID 115172520
N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110795814
3-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butanamide
CID 110789828
N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
CID 110789876
N-ethyl-N-methyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 115259606
2-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
CID 110789881
N-[4-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)butyl]cyclopropanamine
CID 65305430
N-(bromomethyl)-N-methyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 115262413

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopropanamine (CID 82475603) is N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopropanamine is Cc1cc2c(cc1CCNC1CC1)OCCO2.
What is the InChIKey of N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopropanamine?
The InChIKey is YLEUFUVIZJXGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-8-13-14(17-7-6-16-13)9-11(10)4-5-15-12-2-3-12/h8-9,12,15H,2-7H2,1H3.
What are the key properties of N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopropanamine?
N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopropanamine has a molecular weight of 233.31 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 82475603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).