N-dibenzofuran-2-ylbutan-1-imine;ethane

C18H21NO — CID 145027884

IUPACN-dibenzofuran-2-ylbutan-1-imine;ethane
SMILESCC.CCC/C=N/c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C16H15NO.C2H6/c1-2-3-10-17-12-8-9-16-14(11-12)13-6-4-5-7-15(13)18-16;1-2/h4-11H,2-3H2,1H3;1-2H3/b17-10+;
InChIKeyNMHIMSBGBDXLBH-LZMXEPDESA-N
MW267.37 g/mol
LogP6.11
Rot. Bonds3

About N-dibenzofuran-2-ylbutan-1-imine;ethane

N-dibenzofuran-2-ylbutan-1-imine;ethane (PubChem CID 145027884) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-dibenzofuran-2-ylbutan-1-imine;ethane.

Molecular Properties

Compound NameN-dibenzofuran-2-ylbutan-1-imine;ethane
PubChem CID145027884
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-dibenzofuran-2-ylbutan-1-imine;ethane
SMILESCC.CCC/C=N/c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C16H15NO.C2H6/c1-2-3-10-17-12-8-9-16-14(11-12)13-6-4-5-7-15(13)18-16;1-2/h4-11H,2-3H2,1H3;1-2H3/b17-10+;
InChIKeyNMHIMSBGBDXLBH-LZMXEPDESA-N
XLogP6.11
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.37
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-dibenzofuran-2-yl-1-(2-methoxynaphthalen-1-yl)methanimine
CID 23881648
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
dibenzofuran;ethanol
CID 174821059
CID 153329393
CID 153329393
3-ethyldibenzofuran
CID 58510747
N-(4-chlorophenyl)-1-dibenzofuran-2-ylmethanimine
CID 12703740
N-dibenzofuran-2-yldibenzofuran-3-amine;ethane
CID 145077285
N-dibenzofuran-2-yl-1-quinolin-6-ylmethanimine
CID 2368116
7-butoxy-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 118149901
N-(dibenzofuran-2-ylmethyl)propan-1-amine
CID 19048253
ethyl 2-cyano-2-(dibenzofuran-2-yldiazenyl)propanoate
CID 12943686
N-[(Z)-but-2-en-2-yl]-1-dibenzofuran-2-ylpropan-1-imine
CID 170239405

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-ylbutan-1-imine;ethane?
The IUPAC name of N-dibenzofuran-2-ylbutan-1-imine;ethane (CID 145027884) is N-dibenzofuran-2-ylbutan-1-imine;ethane.
What is the SMILES notation for N-dibenzofuran-2-ylbutan-1-imine;ethane?
The canonical SMILES for N-dibenzofuran-2-ylbutan-1-imine;ethane is CC.CCC/C=N/c1ccc2oc3ccccc3c2c1.
What is the InChIKey of N-dibenzofuran-2-ylbutan-1-imine;ethane?
The InChIKey is NMHIMSBGBDXLBH-LZMXEPDESA-N. The full InChI is InChI=1S/C16H15NO.C2H6/c1-2-3-10-17-12-8-9-16-14(11-12)13-6-4-5-7-15(13)18-16;1-2/h4-11H,2-3H2,1H3;1-2H3/b17-10+;.
What are the key properties of N-dibenzofuran-2-ylbutan-1-imine;ethane?
N-dibenzofuran-2-ylbutan-1-imine;ethane has a molecular weight of 267.37 g/mol, XLogP of 6.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-ylbutan-1-imine;ethane is sourced from PubChem (CID 145027884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).