N-[1-(1-benzofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine

C16H22N2O — CID 116651191

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine
SMILESCC(c1cc2ccccc2o1)N(C)C(CN)C1CC1
InChIInChI=1S/C16H22N2O/c1-11(18(2)14(10-17)12-7-8-12)16-9-13-5-3-4-6-15(13)19-16/h3-6,9,11-12,14H,7-8,10,17H2,1-2H3
InChIKeyWMQBPMMGQJHGPV-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.16
Rot. Bonds5

About N-[1-(1-benzofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine

N-[1-(1-benzofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine (PubChem CID 116651191) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine
PubChem CID116651191
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine
SMILESCC(c1cc2ccccc2o1)N(C)C(CN)C1CC1
InChIInChI=1S/C16H22N2O/c1-11(18(2)14(10-17)12-7-8-12)16-9-13-5-3-4-6-15(13)19-16/h3-6,9,11-12,14H,7-8,10,17H2,1-2H3
InChIKeyWMQBPMMGQJHGPV-UHFFFAOYSA-N
XLogP3.16
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 63896799
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
1-benzofuran-2-yl-(4-methylcyclohexyl)methanamine
CID 64776063
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylcyclohex-2-en-1-amine
CID 56574292
1-(1-benzofuran-2-yl)-N'-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 54884595
(2R)-2-(1-benzofuran-2-yl)-2-methoxyethanamine
CID 94846259
2-(1-benzofuran-2-yl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 63897326
2-[1-(1-benzofuran-2-yl)ethylamino]-1-cyclopropylethanol
CID 63295328
2-[1-(1-benzofuran-2-yl)ethyl-(cyclopropylmethyl)amino]acetic acid
CID 65055146
1-(1-benzofuran-2-yl)-N-benzyl-N-methylethane-1,2-diamine
CID 63896231
2-[[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 60503344
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methylazepane-1-sulfonamide
CID 51933578

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine (CID 116651191) is N-[1-(1-benzofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine is CC(c1cc2ccccc2o1)N(C)C(CN)C1CC1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
The InChIKey is WMQBPMMGQJHGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(18(2)14(10-17)12-7-8-12)16-9-13-5-3-4-6-15(13)19-16/h3-6,9,11-12,14H,7-8,10,17H2,1-2H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
N-[1-(1-benzofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine has a molecular weight of 258.37 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 116651191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).