4-N-[1-(1-benzofuran-2-yl)ethyl]cyclohexane-1,4-diamine

C16H22N2O — CID 62314222

IUPAC4-N-[1-(1-benzofuran-2-yl)ethyl]cyclohexane-1,4-diamine
SMILESCC(NC1CCC(N)CC1)c1cc2ccccc2o1
InChIInChI=1S/C16H22N2O/c1-11(18-14-8-6-13(17)7-9-14)16-10-12-4-2-3-5-15(12)19-16/h2-5,10-11,13-14,18H,6-9,17H2,1H3
InChIKeyJMLIZNXTRDNNRI-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.35
Rot. Bonds3

About 4-N-[1-(1-benzofuran-2-yl)ethyl]cyclohexane-1,4-diamine

4-N-[1-(1-benzofuran-2-yl)ethyl]cyclohexane-1,4-diamine (PubChem CID 62314222) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-N-[1-(1-benzofuran-2-yl)ethyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-(1-benzofuran-2-yl)ethyl]cyclohexane-1,4-diamine
PubChem CID62314222
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name4-N-[1-(1-benzofuran-2-yl)ethyl]cyclohexane-1,4-diamine
SMILESCC(NC1CCC(N)CC1)c1cc2ccccc2o1
InChIInChI=1S/C16H22N2O/c1-11(18-14-8-6-13(17)7-9-14)16-10-12-4-2-3-5-15(12)19-16/h2-5,10-11,13-14,18H,6-9,17H2,1H3
InChIKeyJMLIZNXTRDNNRI-UHFFFAOYSA-N
XLogP3.35
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]cyclopropanamine
CID 18071242
N-(4-aminocyclohexyl)-2-(1-benzofuran-2-yl)propanamide
CID 119476753
N-[1-(1-benzofuran-2-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 104585216
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-cyclopropylsulfonylpiperidin-4-amine
CID 97102496
N-[1-(1-benzofuran-2-yl)ethyl]-3-ethoxycyclobutan-1-amine
CID 112553006
N-[1-(1-benzofuran-2-yl)ethyl]-5,5-dimethylthian-3-amine
CID 79959026
N-[1-(1-benzofuran-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81298491
1-(1-benzofuran-2-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 63462273
(3R)-3-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-N-ethylpyrrolidine-1-carboxamide
CID 97103014
2-[1-(1-benzofuran-2-yl)ethylamino]cyclopentane-1-carbonitrile
CID 55152162
2-amino-N-[1-(1-benzofuran-2-yl)ethyl]cyclopentane-1-carboxamide
CID 64822765
1-(1-benzofuran-2-yl)-N-(oxan-3-ylmethyl)ethanamine
CID 54906398

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(1-benzofuran-2-yl)ethyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[1-(1-benzofuran-2-yl)ethyl]cyclohexane-1,4-diamine (CID 62314222) is 4-N-[1-(1-benzofuran-2-yl)ethyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[1-(1-benzofuran-2-yl)ethyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[1-(1-benzofuran-2-yl)ethyl]cyclohexane-1,4-diamine is CC(NC1CCC(N)CC1)c1cc2ccccc2o1.
What is the InChIKey of 4-N-[1-(1-benzofuran-2-yl)ethyl]cyclohexane-1,4-diamine?
The InChIKey is JMLIZNXTRDNNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(18-14-8-6-13(17)7-9-14)16-10-12-4-2-3-5-15(12)19-16/h2-5,10-11,13-14,18H,6-9,17H2,1H3.
What are the key properties of 4-N-[1-(1-benzofuran-2-yl)ethyl]cyclohexane-1,4-diamine?
4-N-[1-(1-benzofuran-2-yl)ethyl]cyclohexane-1,4-diamine has a molecular weight of 258.37 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(1-benzofuran-2-yl)ethyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 62314222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).