3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-N-ethylbenzene-1,3-diamine

C17H20N2O — CID 66363208

IUPAC3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-N-ethylbenzene-1,3-diamine
SMILESCCN(CC1Cc2ccccc2O1)c1cccc(N)c1
InChIInChI=1S/C17H20N2O/c1-2-19(15-8-5-7-14(18)11-15)12-16-10-13-6-3-4-9-17(13)20-16/h3-9,11,16H,2,10,12,18H2,1H3
InChIKeyGTEKRFVKEMPSRX-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.10
Rot. Bonds4

About 3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-N-ethylbenzene-1,3-diamine

3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-N-ethylbenzene-1,3-diamine (PubChem CID 66363208) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-N-ethylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-N-ethylbenzene-1,3-diamine
PubChem CID66363208
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-N-ethylbenzene-1,3-diamine
SMILESCCN(CC1Cc2ccccc2O1)c1cccc(N)c1
InChIInChI=1S/C17H20N2O/c1-2-19(15-8-5-7-14(18)11-15)12-16-10-13-6-3-4-9-17(13)20-16/h3-9,11,16H,2,10,12,18H2,1H3
InChIKeyGTEKRFVKEMPSRX-UHFFFAOYSA-N
XLogP3.10
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylaniline
CID 66346823
3-[[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]methyl]aniline
CID 66365541
3-N-ethyl-3-N-[(4-propan-2-ylmorpholin-2-yl)methyl]benzene-1,3-diamine
CID 64533330
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
3-(2,3-dihydro-1-benzofuran-2-ylmethylsulfinyl)aniline
CID 81180890
N-(3-aminophenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 61296761
3-N-ethyl-3-N-propylbenzene-1,3-diamine
CID 43268426
3-N-ethyl-3-N-(2-methylbutyl)benzene-1,3-diamine
CID 63229637
2-[2,3-dihydro-1-benzofuran-2-ylmethyl(ethyl)amino]acetonitrile
CID 66363771
2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-ethyl-2-methylbutane-1,2-diamine
CID 66346641
3-N-ethyl-3-N-(3-methylbutyl)benzene-1,3-diamine
CID 63230057
N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 66346636

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-N-ethylbenzene-1,3-diamine?
The IUPAC name of 3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-N-ethylbenzene-1,3-diamine (CID 66363208) is 3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-N-ethylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-N-ethylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-N-ethylbenzene-1,3-diamine is CCN(CC1Cc2ccccc2O1)c1cccc(N)c1.
What is the InChIKey of 3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-N-ethylbenzene-1,3-diamine?
The InChIKey is GTEKRFVKEMPSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-19(15-8-5-7-14(18)11-15)12-16-10-13-6-3-4-9-17(13)20-16/h3-9,11,16H,2,10,12,18H2,1H3.
What are the key properties of 3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-N-ethylbenzene-1,3-diamine?
3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-N-ethylbenzene-1,3-diamine has a molecular weight of 268.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-N-ethylbenzene-1,3-diamine is sourced from PubChem (CID 66363208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).