ethane;N-methyl-2,3,6,7-tetrahydro-1-benzofuran-5-amine;molecular hydrogen

C13H27NO — CID 144920740

IUPACethane;N-methyl-2,3,6,7-tetrahydro-1-benzofuran-5-amine;molecular hydrogen
SMILESCC.CC.CNC1=CC2=C(CC1)OCC2.[H][H]
InChIInChI=1S/C9H13NO.2C2H6.H2/c1-10-8-2-3-9-7(6-8)4-5-11-9;2*1-2;/h6,10H,2-5H2,1H3;2*1-2H3;1H
InChIKeySZHAZRXETHZLTF-UHFFFAOYSA-N
MW213.37 g/mol
LogP3.86
Rot. Bonds1

About ethane;N-methyl-2,3,6,7-tetrahydro-1-benzofuran-5-amine;molecular hydrogen

ethane;N-methyl-2,3,6,7-tetrahydro-1-benzofuran-5-amine;molecular hydrogen (PubChem CID 144920740) has the molecular formula C13H27NO and a molecular weight of 213.37 g/mol. Its IUPAC name is ethane;N-methyl-2,3,6,7-tetrahydro-1-benzofuran-5-amine;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-methyl-2,3,6,7-tetrahydro-1-benzofuran-5-amine;molecular hydrogen
PubChem CID144920740
Molecular FormulaC13H27NO
Molecular Weight213.37 g/mol
Exact Mass213.21
IUPAC Nameethane;N-methyl-2,3,6,7-tetrahydro-1-benzofuran-5-amine;molecular hydrogen
SMILESCC.CC.CNC1=CC2=C(CC1)OCC2.[H][H]
InChIInChI=1S/C9H13NO.2C2H6.H2/c1-10-8-2-3-9-7(6-8)4-5-11-9;2*1-2;/h6,10H,2-5H2,1H3;2*1-2H3;1H
InChIKeySZHAZRXETHZLTF-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2,3,7,8-tetrahydro-1,4-benzodioxin-6-amine
CID 142987823
3,4,7,8-tetrahydro-2H-chromen-6-amine
CID 160651778
7-(methylamino)-5,6-dihydro-4H-1,4-benzoxazin-3-one
CID 143902117
4-N-methylcyclohexa-1,3-diene-1,4-diamine
CID 143935131
N-methyl-3,6-dihydro-2H-pyran-4-amine
CID 70244327
4-chloro-N-methylcyclohexa-1,3-dien-1-amine
CID 89073762
4-ethyl-N-methyl-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine
CID 134549872
ethane;N-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-amine
CID 169237602
ethane;6-methyl-3,5-dihydro-2H-furo[2,3-c]pyrrole;molecular hydrogen
CID 144904695
N-methylcyclohexa-1,3-dien-1-amine;zinc
CID 163558144
4,4-difluoro-N-methylcyclohexen-1-amine
CID 162565161
1-N,4-N-bis(trimethylsilyloxy)cyclohexa-1,3-diene-1,4-diamine
CID 123414674

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2,3,6,7-tetrahydro-1-benzofuran-5-amine;molecular hydrogen?
The IUPAC name of ethane;N-methyl-2,3,6,7-tetrahydro-1-benzofuran-5-amine;molecular hydrogen (CID 144920740) is ethane;N-methyl-2,3,6,7-tetrahydro-1-benzofuran-5-amine;molecular hydrogen.
What is the SMILES notation for ethane;N-methyl-2,3,6,7-tetrahydro-1-benzofuran-5-amine;molecular hydrogen?
The canonical SMILES for ethane;N-methyl-2,3,6,7-tetrahydro-1-benzofuran-5-amine;molecular hydrogen is CC.CC.CNC1=CC2=C(CC1)OCC2.[H][H].
What is the InChIKey of ethane;N-methyl-2,3,6,7-tetrahydro-1-benzofuran-5-amine;molecular hydrogen?
The InChIKey is SZHAZRXETHZLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.2C2H6.H2/c1-10-8-2-3-9-7(6-8)4-5-11-9;2*1-2;/h6,10H,2-5H2,1H3;2*1-2H3;1H.
What are the key properties of ethane;N-methyl-2,3,6,7-tetrahydro-1-benzofuran-5-amine;molecular hydrogen?
ethane;N-methyl-2,3,6,7-tetrahydro-1-benzofuran-5-amine;molecular hydrogen has a molecular weight of 213.37 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2,3,6,7-tetrahydro-1-benzofuran-5-amine;molecular hydrogen is sourced from PubChem (CID 144920740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).