(5-ethyl-3-propyl-1-benzofuran-2-yl)methanamine

C14H19NO — CID 62381054

IUPAC(5-ethyl-3-propyl-1-benzofuran-2-yl)methanamine
SMILESCCCc1c(CN)oc2ccc(CC)cc12
InChIInChI=1S/C14H19NO/c1-3-5-11-12-8-10(4-2)6-7-13(12)16-14(11)9-15/h6-8H,3-5,9,15H2,1-2H3
InChIKeyPPZUTJKTESOFAR-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.41
Rot. Bonds4

About (5-ethyl-3-propyl-1-benzofuran-2-yl)methanamine

(5-ethyl-3-propyl-1-benzofuran-2-yl)methanamine (PubChem CID 62381054) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (5-ethyl-3-propyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(5-ethyl-3-propyl-1-benzofuran-2-yl)methanamine
PubChem CID62381054
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(5-ethyl-3-propyl-1-benzofuran-2-yl)methanamine
SMILESCCCc1c(CN)oc2ccc(CC)cc12
InChIInChI=1S/C14H19NO/c1-3-5-11-12-8-10(4-2)6-7-13(12)16-14(11)9-15/h6-8H,3-5,9,15H2,1-2H3
InChIKeyPPZUTJKTESOFAR-UHFFFAOYSA-N
XLogP3.41
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-butyl-3-ethyl-1-benzofuran-2-yl)methanamine
CID 115493278
[3-(methoxymethyl)-5-propyl-1-benzofuran-2-yl]methanamine
CID 114377191
(5-phenoxy-3-propyl-1-benzofuran-2-yl)methanamine
CID 114375977
2-(aminomethyl)-3-propylfuro[3,2-g]chromen-7-one
CID 20511418
[5-benzyl-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine
CID 114377183
N-[2-(2-benzyl-5-ethyl-1-benzofuran-3-yl)ethyl]ethanethioamide
CID 22131190
2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethanamine
CID 11121585
2-(2-bromo-5-ethyl-1-benzofuran-3-yl)acetamide
CID 4912381
(7-bromo-3-propyl-1-benzofuran-2-yl)methanamine
CID 114376595
1-(5-benzyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104843134
5-butyl-3-ethyl-1-benzofuran-2-carbonitrile
CID 115493274
3-(aminomethyl)-6-ethylchromen-4-one
CID 45094677

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-3-propyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (5-ethyl-3-propyl-1-benzofuran-2-yl)methanamine (CID 62381054) is (5-ethyl-3-propyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (5-ethyl-3-propyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (5-ethyl-3-propyl-1-benzofuran-2-yl)methanamine is CCCc1c(CN)oc2ccc(CC)cc12.
What is the InChIKey of (5-ethyl-3-propyl-1-benzofuran-2-yl)methanamine?
The InChIKey is PPZUTJKTESOFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-5-11-12-8-10(4-2)6-7-13(12)16-14(11)9-15/h6-8H,3-5,9,15H2,1-2H3.
What are the key properties of (5-ethyl-3-propyl-1-benzofuran-2-yl)methanamine?
(5-ethyl-3-propyl-1-benzofuran-2-yl)methanamine has a molecular weight of 217.31 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-3-propyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 62381054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).