N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine

C15H21NO2 — CID 43193591

IUPACN-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCC1CCCCC1Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H21NO2/c1-11-4-2-3-5-13(11)16-12-6-7-14-15(10-12)18-9-8-17-14/h6-7,10-11,13,16H,2-5,8-9H2,1H3
InChIKeyCQDGDDSDCYTZSF-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.45
Rot. Bonds2

About N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine

N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine (PubChem CID 43193591) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine
PubChem CID43193591
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCC1CCCCC1Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H21NO2/c1-11-4-2-3-5-13(11)16-12-6-7-14-15(10-12)18-9-8-17-14/h6-7,10-11,13,16H,2-5,8-9H2,1H3
InChIKeyCQDGDDSDCYTZSF-UHFFFAOYSA-N
XLogP3.45
TPSA30.49 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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclohexan-1-ol
CID 60886931
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclopentan-1-ol
CID 60886680
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1R,2S)-2-methylcyclohexyl]oxamide
CID 7411340
2,2-difluoro-N-(2-methylcyclohexyl)-1,3-benzodioxol-5-amine
CID 43109383
trans-(1S,2S)-2-(1,3-benzodioxol-5-ylamino)cyclohexan-1-ol
CID 102730964
N-(3-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43193592
4-N-(2-methylcyclohexyl)benzene-1,2,4-triamine
CID 106750255
N-(8-tricyclo[5.2.1.02,6]decanyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43503174
4-bromo-3-chloro-N-(2-methylcyclohexyl)aniline
CID 107619202
N-(4-propan-2-ylcycloheptyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 65087519
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide
CID 11923388
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]propanamide
CID 11923386

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The IUPAC name of N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine (CID 43193591) is N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine.
What is the SMILES notation for N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The canonical SMILES for N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine is CC1CCCCC1Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The InChIKey is CQDGDDSDCYTZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-4-2-3-5-13(11)16-12-6-7-14-15(10-12)18-9-8-17-14/h6-7,10-11,13,16H,2-5,8-9H2,1H3.
What are the key properties of N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine has a molecular weight of 247.34 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine is sourced from PubChem (CID 43193591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).