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

C18H27NO2 — CID 64734545

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,4-dimethylcyclohexan-1-amine
SMILESCC(NC1CCC(C)C(C)C1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H27NO2/c1-12-4-6-16(10-13(12)2)19-14(3)15-5-7-17-18(11-15)21-9-8-20-17/h5,7,11-14,16,19H,4,6,8-10H2,1-3H3
InChIKeyPNRKIOPYHQYMAH-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.93
Rot. Bonds3

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

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,4-dimethylcyclohexan-1-amine (PubChem CID 64734545) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,4-dimethylcyclohexan-1-amine
PubChem CID64734545
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,4-dimethylcyclohexan-1-amine
SMILESCC(NC1CCC(C)C(C)C1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H27NO2/c1-12-4-6-16(10-13(12)2)19-14(3)15-5-7-17-18(11-15)21-9-8-20-17/h5,7,11-14,16,19H,4,6,8-10H2,1-3H3
InChIKeyPNRKIOPYHQYMAH-UHFFFAOYSA-N
XLogP3.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]oxan-4-amine
CID 43609831
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 64739909
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylcyclopentan-1-amine
CID 115714913
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine
CID 104989112
N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclopentanamine
CID 43190395
N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 81365167
1-N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexane-1,3-diamine
CID 79458936
[2,3-dihydro-1,4-benzodioxin-6-yl-(3,4-dimethylcyclohexyl)methyl]hydrazine
CID 105312385
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,1-dioxothian-3-amine
CID 63909902
5-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]piperidin-2-one
CID 63662418
N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexanamine
CID 43189952
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropanamine
CID 43754666

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,4-dimethylcyclohexan-1-amine (CID 64734545) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,4-dimethylcyclohexan-1-amine is CC(NC1CCC(C)C(C)C1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,4-dimethylcyclohexan-1-amine?
The InChIKey is PNRKIOPYHQYMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-12-4-6-16(10-13(12)2)19-14(3)15-5-7-17-18(11-15)21-9-8-20-17/h5,7,11-14,16,19H,4,6,8-10H2,1-3H3.
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,4-dimethylcyclohexan-1-amine?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,4-dimethylcyclohexan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64734545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).