2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexan-1-amine

C15H21NO2 — CID 82383801

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexan-1-amine
SMILESNC1CCCCC1Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H21NO2/c16-13-4-2-1-3-12(13)9-11-5-6-14-15(10-11)18-8-7-17-14/h5-6,10,12-13H,1-4,7-9,16H2
InChIKeyUCLZXCSTMRQFPN-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.52
Rot. Bonds2

About 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexan-1-amine

2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexan-1-amine (PubChem CID 82383801) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexan-1-amine
PubChem CID82383801
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexan-1-amine
SMILESNC1CCCCC1Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H21NO2/c16-13-4-2-1-3-12(13)9-11-5-6-14-15(10-11)18-8-7-17-14/h5-6,10,12-13H,1-4,7-9,16H2
InChIKeyUCLZXCSTMRQFPN-UHFFFAOYSA-N
XLogP2.52
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-(1,3-benzodioxol-5-ylmethyl)cyclohexan-1-amine
CID 10633393
2-(2,3-dihydro-1-benzofuran-6-ylmethyl)cyclopentan-1-amine
CID 82393396
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylpiperidine
CID 141275446
2-[(4-chlorophenyl)methyl]cyclohexan-1-amine
CID 61382478
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexanamine;ethane
CID 142837750
1-cyclopentyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]guanidine
CID 62364271
2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethyl]cyclopentan-1-amine
CID 115480381
2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N-methylcyclohexane-1,2-diamine
CID 115118047
2-[(3-ethyl-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 82383669
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)cyclooctan-1-amine
CID 115479189
2-[(4-methoxy-3-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 82485335
2-(furan-3-ylmethyl)cyclopentan-1-amine
CID 83173123

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexan-1-amine (CID 82383801) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexan-1-amine is NC1CCCCC1Cc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexan-1-amine?
The InChIKey is UCLZXCSTMRQFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c16-13-4-2-1-3-12(13)9-11-5-6-14-15(10-11)18-8-7-17-14/h5-6,10,12-13H,1-4,7-9,16H2.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexan-1-amine?
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexan-1-amine has a molecular weight of 247.34 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 82383801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).