(5-butan-2-yl-1-benzofuran-2-yl)methanamine

C13H17NO — CID 107668317

IUPAC(5-butan-2-yl-1-benzofuran-2-yl)methanamine
SMILESCCC(C)c1ccc2oc(CN)cc2c1
InChIInChI=1S/C13H17NO/c1-3-9(2)10-4-5-13-11(6-10)7-12(8-14)15-13/h4-7,9H,3,8,14H2,1-2H3
InChIKeyFAYCIDVWODHPDY-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.40
Rot. Bonds3

About (5-butan-2-yl-1-benzofuran-2-yl)methanamine

(5-butan-2-yl-1-benzofuran-2-yl)methanamine (PubChem CID 107668317) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (5-butan-2-yl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(5-butan-2-yl-1-benzofuran-2-yl)methanamine
PubChem CID107668317
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(5-butan-2-yl-1-benzofuran-2-yl)methanamine
SMILESCCC(C)c1ccc2oc(CN)cc2c1
InChIInChI=1S/C13H17NO/c1-3-9(2)10-4-5-13-11(6-10)7-12(8-14)15-13/h4-7,9H,3,8,14H2,1-2H3
InChIKeyFAYCIDVWODHPDY-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-1-benzofuran-2-carboxamide
CID 155041385
1-(5-butan-2-yl-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 107669269
2-(2-bromo-1-benzofuran-5-yl)propan-1-amine
CID 83900835
(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)methanamine
CID 107668321
(2-ethyl-1-benzofuran-5-yl)methanamine
CID 82411118
1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine
CID 107667356
2-(aminomethyl)-1-benzofuran-6-amine
CID 45122675
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
5-amino-2-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenol
CID 136689049
5-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]-2-methylaniline
CID 40526857
6-butan-2-ylnaphthalene-2,3-diol
CID 134463629
2-(aminomethyl)-4-butan-2-ylphenol;hydrochloride
CID 21430763

Frequently Asked Questions

What is the IUPAC name of (5-butan-2-yl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (5-butan-2-yl-1-benzofuran-2-yl)methanamine (CID 107668317) is (5-butan-2-yl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (5-butan-2-yl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (5-butan-2-yl-1-benzofuran-2-yl)methanamine is CCC(C)c1ccc2oc(CN)cc2c1.
What is the InChIKey of (5-butan-2-yl-1-benzofuran-2-yl)methanamine?
The InChIKey is FAYCIDVWODHPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-9(2)10-4-5-13-11(6-10)7-12(8-14)15-13/h4-7,9H,3,8,14H2,1-2H3.
What are the key properties of (5-butan-2-yl-1-benzofuran-2-yl)methanamine?
(5-butan-2-yl-1-benzofuran-2-yl)methanamine has a molecular weight of 203.28 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butan-2-yl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 107668317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).