1-(1-benzofuran-3-yl)-3-methylbutane-1,4-diamine

C13H18N2O — CID 116934253

IUPAC1-(1-benzofuran-3-yl)-3-methylbutane-1,4-diamine
SMILESCC(CN)CC(N)c1coc2ccccc12
InChIInChI=1S/C13H18N2O/c1-9(7-14)6-12(15)11-8-16-13-5-3-2-4-10(11)13/h2-5,8-9,12H,6-7,14-15H2,1H3
InChIKeyHISFSWKBWACDLM-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.42
Rot. Bonds4

About 1-(1-benzofuran-3-yl)-3-methylbutane-1,4-diamine

1-(1-benzofuran-3-yl)-3-methylbutane-1,4-diamine (PubChem CID 116934253) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-3-methylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-3-methylbutane-1,4-diamine
PubChem CID116934253
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(1-benzofuran-3-yl)-3-methylbutane-1,4-diamine
SMILESCC(CN)CC(N)c1coc2ccccc12
InChIInChI=1S/C13H18N2O/c1-9(7-14)6-12(15)11-8-16-13-5-3-2-4-10(11)13/h2-5,8-9,12H,6-7,14-15H2,1H3
InChIKeyHISFSWKBWACDLM-UHFFFAOYSA-N
XLogP2.42
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(1-benzofuran-3-yl)pentan-1-amine
CID 165356907
4-amino-4-(1-benzofuran-3-yl)butan-2-one
CID 116940622
2-(aminomethyl)-1-(1-benzofuran-3-yl)-3-methylbutan-1-ol
CID 65185900
4-amino-1-(1-benzofuran-3-yl)-3-methylbutan-1-one
CID 116916164
1-benzofuran-3-yl(chloro)methanamine
CID 116947842
1-benzofuran-3-yl(methoxy)methanamine
CID 116947357
2-(1-benzofuran-3-yl)propan-1-ol
CID 23614436
1-(1-benzofuran-3-yl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66447303
1-(1-benzofuran-3-yl)-N,N-dimethylethanamine
CID 116914687
lithium;3-(1-fluoroethyl)-1-benzofuran;hydride
CID 175140613
1-amino-1-(1-benzofuran-3-yl)propan-2-one
CID 55273195
1-(1-benzofuran-3-yl)-2-(5-chloro-2-fluorophenyl)ethanamine
CID 103049047

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-3-methylbutane-1,4-diamine?
The IUPAC name of 1-(1-benzofuran-3-yl)-3-methylbutane-1,4-diamine (CID 116934253) is 1-(1-benzofuran-3-yl)-3-methylbutane-1,4-diamine.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-3-methylbutane-1,4-diamine?
The canonical SMILES for 1-(1-benzofuran-3-yl)-3-methylbutane-1,4-diamine is CC(CN)CC(N)c1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-yl)-3-methylbutane-1,4-diamine?
The InChIKey is HISFSWKBWACDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9(7-14)6-12(15)11-8-16-13-5-3-2-4-10(11)13/h2-5,8-9,12H,6-7,14-15H2,1H3.
What are the key properties of 1-(1-benzofuran-3-yl)-3-methylbutane-1,4-diamine?
1-(1-benzofuran-3-yl)-3-methylbutane-1,4-diamine has a molecular weight of 218.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-3-methylbutane-1,4-diamine is sourced from PubChem (CID 116934253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).