2-(aminomethyl)-1-(1-benzofuran-3-yl)-3-methylbutan-1-ol

C14H19NO2 — CID 65185900

IUPAC2-(aminomethyl)-1-(1-benzofuran-3-yl)-3-methylbutan-1-ol
SMILESCC(C)C(CN)C(O)c1coc2ccccc12
InChIInChI=1S/C14H19NO2/c1-9(2)11(7-15)14(16)12-8-17-13-6-4-3-5-10(12)13/h3-6,8-9,11,14,16H,7,15H2,1-2H3
InChIKeyNFWAKOYPKVPLER-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.70
Rot. Bonds4

About 2-(aminomethyl)-1-(1-benzofuran-3-yl)-3-methylbutan-1-ol

2-(aminomethyl)-1-(1-benzofuran-3-yl)-3-methylbutan-1-ol (PubChem CID 65185900) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(1-benzofuran-3-yl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(1-benzofuran-3-yl)-3-methylbutan-1-ol
PubChem CID65185900
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(aminomethyl)-1-(1-benzofuran-3-yl)-3-methylbutan-1-ol
SMILESCC(C)C(CN)C(O)c1coc2ccccc12
InChIInChI=1S/C14H19NO2/c1-9(2)11(7-15)14(16)12-8-17-13-6-4-3-5-10(12)13/h3-6,8-9,11,14,16H,7,15H2,1-2H3
InChIKeyNFWAKOYPKVPLER-UHFFFAOYSA-N
XLogP2.70
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Benzo[b]furan-3-ylethylamine
CID 12420812
3-(Furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine
CID 2921616
(6-Methylbenzofuran-3-yl)methanol
CID 11084186
Ethanol, 2-amino-1-(dibenzofuran-2''-yl)-, hydrochloride
CID 113855
3-Benzofuranethanamine, hydrochloride (1:1)
CID 12420813
Benzofuran-3-ylmethanol
CID 3666346
(1S)-1-(1-benzofuran-3-yl)ethan-1-ol
CID 15075484
(alphaR)-alpha-Methyl-3-benzofuranmethanol
CID 81956229
(2-Methyl-1-benzofuran-3-yl)methanol
CID 13706979
4-(5-Fluoro-1-benzofuran-7-yl)pentan-2-amine
CID 22144784
3-(5-Fluoro-1-benzofuran-7-yl)butan-1-amine
CID 22144879
(Z)-2-(1-benzofuran-3-ylmethyl)-3-fluoroprop-2-en-1-amine
CID 59029534

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(1-benzofuran-3-yl)-3-methylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(1-benzofuran-3-yl)-3-methylbutan-1-ol (CID 65185900) is 2-(aminomethyl)-1-(1-benzofuran-3-yl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(1-benzofuran-3-yl)-3-methylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(1-benzofuran-3-yl)-3-methylbutan-1-ol is CC(C)C(CN)C(O)c1coc2ccccc12.
What is the InChIKey of 2-(aminomethyl)-1-(1-benzofuran-3-yl)-3-methylbutan-1-ol?
The InChIKey is NFWAKOYPKVPLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9(2)11(7-15)14(16)12-8-17-13-6-4-3-5-10(12)13/h3-6,8-9,11,14,16H,7,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-(1-benzofuran-3-yl)-3-methylbutan-1-ol?
2-(aminomethyl)-1-(1-benzofuran-3-yl)-3-methylbutan-1-ol has a molecular weight of 233.31 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(1-benzofuran-3-yl)-3-methylbutan-1-ol is sourced from PubChem (CID 65185900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).