(1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine

C10H12ClNO2 — CID 82758605

IUPAC(1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine
SMILESC[C@@H](N)c1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C10H12ClNO2/c1-6(12)7-4-9-10(5-8(7)11)14-3-2-13-9/h4-6H,2-3,12H2,1H3/t6-/m1/s1
InChIKeySMWDEIPUWDOPQP-ZCFIWIBFSA-N
MW213.66 g/mol
LogP2.13
Rot. Bonds1

About (1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine

(1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine (PubChem CID 82758605) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is (1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine
PubChem CID82758605
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name(1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine
SMILESC[C@@H](N)c1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C10H12ClNO2/c1-6(12)7-4-9-10(5-8(7)11)14-3-2-13-9/h4-6H,2-3,12H2,1H3/t6-/m1/s1
InChIKeySMWDEIPUWDOPQP-ZCFIWIBFSA-N
XLogP2.13
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 82759401
7-(1-bromoethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine
CID 61096362
3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)butan-1-amine
CID 117356386
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 61082590
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,6-dichlorophenyl)methanamine
CID 43330448
5-amino-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)heptan-4-ol
CID 83922311
1-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanol
CID 61083339
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopentylmethanamine
CID 43152791
1-[2-chloro-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)phenyl]ethanamine
CID 82772106
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dimethylphenyl)methanamine
CID 43330439
6-chloro-7-[(Z)-hex-4-en-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 83922291
(1R)-1-(6-chloro-1,3-benzodioxol-5-yl)-4-methylpentan-1-amine;hydrochloride
CID 171215167

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine?
The IUPAC name of (1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine (CID 82758605) is (1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine.
What is the SMILES notation for (1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine?
The canonical SMILES for (1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine is C[C@@H](N)c1cc2c(cc1Cl)OCCO2.
What is the InChIKey of (1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine?
The InChIKey is SMWDEIPUWDOPQP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-6(12)7-4-9-10(5-8(7)11)14-3-2-13-9/h4-6H,2-3,12H2,1H3/t6-/m1/s1.
What are the key properties of (1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine?
(1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine has a molecular weight of 213.66 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine is sourced from PubChem (CID 82758605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).