1-(1-benzofuran-5-yl)-3-methylbutan-1-amine

C13H17NO — CID 112709888

IUPAC1-(1-benzofuran-5-yl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1ccc2occc2c1
InChIInChI=1S/C13H17NO/c1-9(2)7-12(14)10-3-4-13-11(8-10)5-6-15-13/h3-6,8-9,12H,7,14H2,1-2H3
InChIKeySTDWMFLBDGPJCB-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.48
Rot. Bonds3

About 1-(1-benzofuran-5-yl)-3-methylbutan-1-amine

1-(1-benzofuran-5-yl)-3-methylbutan-1-amine (PubChem CID 112709888) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-(1-benzofuran-5-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(1-benzofuran-5-yl)-3-methylbutan-1-amine
PubChem CID112709888
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1-(1-benzofuran-5-yl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1ccc2occc2c1
InChIInChI=1S/C13H17NO/c1-9(2)7-12(14)10-3-4-13-11(8-10)5-6-15-13/h3-6,8-9,12H,7,14H2,1-2H3
InChIKeySTDWMFLBDGPJCB-UHFFFAOYSA-N
XLogP3.48
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-3-methyl-1-naphthalen-2-ylbutan-1-amine;hydrochloride
CID 171201317
2-(1-benzofuran-5-yl)-3,3-dimethylbutan-1-amine
CID 83821795
5-(dimethoxymethyl)-1-benzofuran
CID 11816358
3-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine
CID 82493621
1-(3,4-dichlorophenyl)-3-methylbutan-1-amine
CID 43344490
(1S)-1-(3,4-dibromophenyl)-3-methylbutan-1-amine
CID 130641493
1-dibenzofuran-2-yl-3-methylbutan-1-amine
CID 43100935
1-(1,3-benzodioxol-5-yl)-3-methylbutan-1-amine
CID 82048703
3-(1-benzofuran-5-yl)-N-ethylhexan-2-amine
CID 166892612
5-(1-amino-3-methylbutyl)-3-methyl-1,3-benzoxazol-2-one
CID 82496350
(1S)-3-methyl-1-(3-propan-2-ylphenyl)butan-1-amine
CID 71074498
2-(1-benzofuran-5-yl)-2-bromoacetaldehyde
CID 87653601

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-5-yl)-3-methylbutan-1-amine?
The IUPAC name of 1-(1-benzofuran-5-yl)-3-methylbutan-1-amine (CID 112709888) is 1-(1-benzofuran-5-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 1-(1-benzofuran-5-yl)-3-methylbutan-1-amine?
The canonical SMILES for 1-(1-benzofuran-5-yl)-3-methylbutan-1-amine is CC(C)CC(N)c1ccc2occc2c1.
What is the InChIKey of 1-(1-benzofuran-5-yl)-3-methylbutan-1-amine?
The InChIKey is STDWMFLBDGPJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9(2)7-12(14)10-3-4-13-11(8-10)5-6-15-13/h3-6,8-9,12H,7,14H2,1-2H3.
What are the key properties of 1-(1-benzofuran-5-yl)-3-methylbutan-1-amine?
1-(1-benzofuran-5-yl)-3-methylbutan-1-amine has a molecular weight of 203.28 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-5-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 112709888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).