(2-butyl-1-benzofuran-3-yl)methanamine

C13H17NO — CID 43492779

IUPAC(2-butyl-1-benzofuran-3-yl)methanamine
SMILESCCCCc1oc2ccccc2c1CN
InChIInChI=1S/C13H17NO/c1-2-3-7-13-11(9-14)10-6-4-5-8-12(10)15-13/h4-6,8H,2-3,7,9,14H2,1H3
InChIKeyFBBSFYXALRUDKB-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.23
Rot. Bonds4

About (2-butyl-1-benzofuran-3-yl)methanamine

(2-butyl-1-benzofuran-3-yl)methanamine (PubChem CID 43492779) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (2-butyl-1-benzofuran-3-yl)methanamine.

Molecular Properties

Compound Name(2-butyl-1-benzofuran-3-yl)methanamine
PubChem CID43492779
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(2-butyl-1-benzofuran-3-yl)methanamine
SMILESCCCCc1oc2ccccc2c1CN
InChIInChI=1S/C13H17NO/c1-2-3-7-13-11(9-14)10-6-4-5-8-12(10)15-13/h4-6,8H,2-3,7,9,14H2,1H3
InChIKeyFBBSFYXALRUDKB-UHFFFAOYSA-N
XLogP3.23
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-2-pentyl-1-benzofuran
CID 101375097
N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-propylpropan-1-amine
CID 62438385
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylpentan-3-amine
CID 106328362
4-[2-(2-butyl-1-benzofuran-3-yl)ethyl]phenol
CID 23445648
N-[(2-butyl-1-benzofuran-3-yl)methyl]butan-2-amine
CID 43392136
2-ethyl-3-pentyl-1-benzofuran
CID 70503240
N-[4-[3-(aminomethyl)-1-benzofuran-2-yl]butyl]cyclopropanamine
CID 66338829
2-butyl-3-methylchromen-4-one
CID 174299593
N-[(2-butyl-1-benzofuran-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 43392179
N-[(2-butyl-1-benzofuran-3-yl)methyl]piperidin-1-amine
CID 83009139
methyl 2-[(2-butyl-1-benzofuran-3-yl)methylamino]acetate
CID 43494618
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 63982938

Frequently Asked Questions

What is the IUPAC name of (2-butyl-1-benzofuran-3-yl)methanamine?
The IUPAC name of (2-butyl-1-benzofuran-3-yl)methanamine (CID 43492779) is (2-butyl-1-benzofuran-3-yl)methanamine.
What is the SMILES notation for (2-butyl-1-benzofuran-3-yl)methanamine?
The canonical SMILES for (2-butyl-1-benzofuran-3-yl)methanamine is CCCCc1oc2ccccc2c1CN.
What is the InChIKey of (2-butyl-1-benzofuran-3-yl)methanamine?
The InChIKey is FBBSFYXALRUDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-3-7-13-11(9-14)10-6-4-5-8-12(10)15-13/h4-6,8H,2-3,7,9,14H2,1H3.
What are the key properties of (2-butyl-1-benzofuran-3-yl)methanamine?
(2-butyl-1-benzofuran-3-yl)methanamine has a molecular weight of 203.28 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butyl-1-benzofuran-3-yl)methanamine is sourced from PubChem (CID 43492779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).