2-cyclopentyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine

C16H23NO2 — CID 82500943

IUPAC2-cyclopentyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
SMILESCc1cc2c(cc1C(CN)C1CCCC1)OCCO2
InChIInChI=1S/C16H23NO2/c1-11-8-15-16(19-7-6-18-15)9-13(11)14(10-17)12-4-2-3-5-12/h8-9,12,14H,2-7,10,17H2,1H3
InChIKeyNHKADLWPGMBPBH-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.00
Rot. Bonds3

About 2-cyclopentyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine

2-cyclopentyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine (PubChem CID 82500943) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-cyclopentyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
PubChem CID82500943
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-cyclopentyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
SMILESCc1cc2c(cc1C(CN)C1CCCC1)OCCO2
InChIInChI=1S/C16H23NO2/c1-11-8-15-16(19-7-6-18-15)9-13(11)14(10-17)12-4-2-3-5-12/h8-9,12,14H,2-7,10,17H2,1H3
InChIKeyNHKADLWPGMBPBH-UHFFFAOYSA-N
XLogP3.00
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(2,4,5-trimethylphenyl)ethanamine
CID 82282694
2-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-amine
CID 117316293
2-(4-chloro-2-methylphenyl)-2-cyclopentylethanamine
CID 83824559
2-ethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine
CID 116945494
2-(5-chloro-4-methoxy-2-methylphenyl)-2-cyclopentylethanamine
CID 82304977
(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanediamine
CID 116939189
N,2-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine
CID 116948739
8-methyl-7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine
CID 142578042
methoxy-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 116947302
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopentylmethanamine
CID 43152791
3,4-diamino-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid
CID 116942825
1,3-diamino-1-(6-methyl-1,3-benzodioxol-5-yl)propan-2-ol
CID 116942599

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine?
The IUPAC name of 2-cyclopentyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine (CID 82500943) is 2-cyclopentyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine.
What is the SMILES notation for 2-cyclopentyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine?
The canonical SMILES for 2-cyclopentyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine is Cc1cc2c(cc1C(CN)C1CCCC1)OCCO2.
What is the InChIKey of 2-cyclopentyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine?
The InChIKey is NHKADLWPGMBPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-8-15-16(19-7-6-18-15)9-13(11)14(10-17)12-4-2-3-5-12/h8-9,12,14H,2-7,10,17H2,1H3.
What are the key properties of 2-cyclopentyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine?
2-cyclopentyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine has a molecular weight of 261.37 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine is sourced from PubChem (CID 82500943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).