N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,4-dimethylcyclohexan-1-amine

C18H27NO2 — CID 64774317

IUPACN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCCc2ccc3c(c2)OCCO3)C(C)C1
InChIInChI=1S/C18H27NO2/c1-13-3-5-16(14(2)11-13)19-8-7-15-4-6-17-18(12-15)21-10-9-20-17/h4,6,12-14,16,19H,3,5,7-11H2,1-2H3
InChIKeyDCJYPHQVXMQMHX-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.41
Rot. Bonds4

About N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,4-dimethylcyclohexan-1-amine

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,4-dimethylcyclohexan-1-amine (PubChem CID 64774317) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,4-dimethylcyclohexan-1-amine
PubChem CID64774317
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCCc2ccc3c(c2)OCCO3)C(C)C1
InChIInChI=1S/C18H27NO2/c1-13-3-5-16(14(2)11-13)19-8-7-15-4-6-17-18(12-15)21-10-9-20-17/h4,6,12-14,16,19H,3,5,7-11H2,1-2H3
InChIKeyDCJYPHQVXMQMHX-UHFFFAOYSA-N
XLogP3.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylcyclopentan-1-amine
CID 64501434
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylcyclohexan-1-amine
CID 43178290
trans-(1S,2S)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclopentan-1-ol
CID 102732981
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclopentan-1-ol
CID 60713488
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylcyclopentan-1-amine
CID 64501654
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 81295796
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81301541
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclohexane-1-carbonitrile
CID 62743130
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methylcyclohexan-1-amine
CID 28615139
(2R,4R,5R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-1,2,5-trimethylpiperidin-4-amine
CID 97321684
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiolan-3-amine
CID 43178288
cis-(1R,2S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxycyclohexan-1-amine
CID 7108642

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,4-dimethylcyclohexan-1-amine (CID 64774317) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,4-dimethylcyclohexan-1-amine is CC1CCC(NCCc2ccc3c(c2)OCCO3)C(C)C1.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,4-dimethylcyclohexan-1-amine?
The InChIKey is DCJYPHQVXMQMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13-3-5-16(14(2)11-13)19-8-7-15-4-6-17-18(12-15)21-10-9-20-17/h4,6,12-14,16,19H,3,5,7-11H2,1-2H3.
What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,4-dimethylcyclohexan-1-amine?
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,4-dimethylcyclohexan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64774317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).