1-benzofuran-2-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanamine

C16H23N3O — CID 114730606

IUPAC1-benzofuran-2-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanamine
SMILESCN1CCCN(C)C(C(N)c2cc3ccccc3o2)C1
InChIInChI=1S/C16H23N3O/c1-18-8-5-9-19(2)13(11-18)16(17)15-10-12-6-3-4-7-14(12)20-15/h3-4,6-7,10,13,16H,5,8-9,11,17H2,1-2H3
InChIKeyNMUOMHQVAZIVAD-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.07
Rot. Bonds2

About 1-benzofuran-2-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanamine

1-benzofuran-2-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanamine (PubChem CID 114730606) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanamine.

Molecular Properties

Compound Name1-benzofuran-2-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanamine
PubChem CID114730606
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-benzofuran-2-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanamine
SMILESCN1CCCN(C)C(C(N)c2cc3ccccc3o2)C1
InChIInChI=1S/C16H23N3O/c1-18-8-5-9-19(2)13(11-18)16(17)15-10-12-6-3-4-7-14(12)20-15/h3-4,6-7,10,13,16H,5,8-9,11,17H2,1-2H3
InChIKeyNMUOMHQVAZIVAD-UHFFFAOYSA-N
XLogP2.07
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzofuran-2-yl-(2-methylcyclopentyl)methanamine
CID 107191076
[1-(1-benzofuran-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105260307
[1-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80505273
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
1-benzofuran-2-yl-(4-methylcyclohexyl)methanamine
CID 64776063
3-(1-benzofuran-2-yl)-1-methylpiperidine;hydroiodide
CID 173415568
(1,4-dimethyl-1,4-diazepan-2-yl)-(2-propoxyphenyl)methanamine
CID 104660642
1-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-2-yl]ethanamine
CID 63254702
1-(1-benzofuran-2-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537689
1-benzofuran-2-yl(2,3-dihydro-1H-inden-1-yl)methanamine
CID 114729328
1-(1-benzofuran-2-yl)-N'-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 54884595
2-(azepan-1-yl)-2-(1-benzofuran-2-yl)ethanamine
CID 63897883

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanamine?
The IUPAC name of 1-benzofuran-2-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanamine (CID 114730606) is 1-benzofuran-2-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanamine.
What is the SMILES notation for 1-benzofuran-2-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanamine?
The canonical SMILES for 1-benzofuran-2-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanamine is CN1CCCN(C)C(C(N)c2cc3ccccc3o2)C1.
What is the InChIKey of 1-benzofuran-2-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanamine?
The InChIKey is NMUOMHQVAZIVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-18-8-5-9-19(2)13(11-18)16(17)15-10-12-6-3-4-7-14(12)20-15/h3-4,6-7,10,13,16H,5,8-9,11,17H2,1-2H3.
What are the key properties of 1-benzofuran-2-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanamine?
1-benzofuran-2-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanamine has a molecular weight of 273.38 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanamine is sourced from PubChem (CID 114730606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).