2-(azepan-1-yl)-2-(1-benzofuran-2-yl)ethanamine

C16H22N2O — CID 63897883

IUPAC2-(azepan-1-yl)-2-(1-benzofuran-2-yl)ethanamine
SMILESNCC(c1cc2ccccc2o1)N1CCCCCC1
InChIInChI=1S/C16H22N2O/c17-12-14(18-9-5-1-2-6-10-18)16-11-13-7-3-4-8-15(13)19-16/h3-4,7-8,11,14H,1-2,5-6,9-10,12,17H2
InChIKeyTXMKXQCWUIFGBF-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.31
Rot. Bonds3

About 2-(azepan-1-yl)-2-(1-benzofuran-2-yl)ethanamine

2-(azepan-1-yl)-2-(1-benzofuran-2-yl)ethanamine (PubChem CID 63897883) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(azepan-1-yl)-2-(1-benzofuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(azepan-1-yl)-2-(1-benzofuran-2-yl)ethanamine
PubChem CID63897883
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-(azepan-1-yl)-2-(1-benzofuran-2-yl)ethanamine
SMILESNCC(c1cc2ccccc2o1)N1CCCCCC1
InChIInChI=1S/C16H22N2O/c17-12-14(18-9-5-1-2-6-10-18)16-11-13-7-3-4-8-15(13)19-16/h3-4,7-8,11,14H,1-2,5-6,9-10,12,17H2
InChIKeyTXMKXQCWUIFGBF-UHFFFAOYSA-N
XLogP3.31
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzofuran-2-yl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 63897326
2-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine
CID 63897517
2-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 66391481
2-(1-benzofuran-2-yl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine
CID 63898076
2-(1-benzofuran-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine
CID 63898851
1-[1-benzofuran-2-yl(phenyl)methyl]pyrrolidine
CID 71560868
2-(azepan-1-yl)-2-naphthalen-1-ylethanamine
CID 43180381
(2S)-2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanamine
CID 30116375
1-(1-benzofuran-2-yl)-3-phenyl-2-piperidin-1-ylpropan-1-one
CID 3530712
(2R)-2-(1-benzofuran-2-yl)-2-methoxyethanamine
CID 94846259
1-(1-benzofuran-2-yl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 114726874
2-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-3-carboxamide
CID 24624978

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-2-(1-benzofuran-2-yl)ethanamine?
The IUPAC name of 2-(azepan-1-yl)-2-(1-benzofuran-2-yl)ethanamine (CID 63897883) is 2-(azepan-1-yl)-2-(1-benzofuran-2-yl)ethanamine.
What is the SMILES notation for 2-(azepan-1-yl)-2-(1-benzofuran-2-yl)ethanamine?
The canonical SMILES for 2-(azepan-1-yl)-2-(1-benzofuran-2-yl)ethanamine is NCC(c1cc2ccccc2o1)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-2-(1-benzofuran-2-yl)ethanamine?
The InChIKey is TXMKXQCWUIFGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c17-12-14(18-9-5-1-2-6-10-18)16-11-13-7-3-4-8-15(13)19-16/h3-4,7-8,11,14H,1-2,5-6,9-10,12,17H2.
What are the key properties of 2-(azepan-1-yl)-2-(1-benzofuran-2-yl)ethanamine?
2-(azepan-1-yl)-2-(1-benzofuran-2-yl)ethanamine has a molecular weight of 258.36 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-2-(1-benzofuran-2-yl)ethanamine is sourced from PubChem (CID 63897883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).