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

C15H21NO2 — CID 43193592

IUPACN-(3-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCC1CCCC(Nc2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C15H21NO2/c1-11-3-2-4-12(9-11)16-13-5-6-14-15(10-13)18-8-7-17-14/h5-6,10-12,16H,2-4,7-9H2,1H3
InChIKeyWEWUYHCBGOHXGP-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.45
Rot. Bonds2

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

N-(3-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine (PubChem CID 43193592) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine
PubChem CID43193592
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(3-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCC1CCCC(Nc2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C15H21NO2/c1-11-3-2-4-12(9-11)16-13-5-6-14-15(10-13)18-8-7-17-14/h5-6,10-12,16H,2-4,7-9H2,1H3
InChIKeyWEWUYHCBGOHXGP-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

N-(4-propan-2-ylcycloheptyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 65087519
N-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43097568
3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1,3-diamine
CID 79462709
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylcyclohexan-1-amine
CID 43178290
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131628
N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43193591
N-(oxan-4-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 43608361
4-N-(3-methylcyclohexyl)benzene-1,4-diamine
CID 43317797
4-fluoro-N-(3-methylcyclohexyl)aniline
CID 43097581
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethyl]-3-methylcyclohexan-1-amine
CID 115479022
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclopentan-1-ol
CID 60886680
4-tert-butyl-N-(3-methylcyclohexyl)aniline
CID 43099749

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The IUPAC name of N-(3-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine (CID 43193592) is N-(3-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine.
What is the SMILES notation for N-(3-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The canonical SMILES for N-(3-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine is CC1CCCC(Nc2ccc3c(c2)OCCO3)C1.
What is the InChIKey of N-(3-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The InChIKey is WEWUYHCBGOHXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-3-2-4-12(9-11)16-13-5-6-14-15(10-13)18-8-7-17-14/h5-6,10-12,16H,2-4,7-9H2,1H3.
What are the key properties of N-(3-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
N-(3-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-(3-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine is sourced from PubChem (CID 43193592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).