2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpentan-1-ol

C16H25NO2 — CID 106507820

IUPAC2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpentan-1-ol
SMILESCC(C)CC(CN)(CO)CC1COc2ccccc21
InChIInChI=1S/C16H25NO2/c1-12(2)7-16(10-17,11-18)8-13-9-19-15-6-4-3-5-14(13)15/h3-6,12-13,18H,7-11,17H2,1-2H3
InChIKeyZYWOAPXFJNOOMI-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.54
Rot. Bonds6

About 2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpentan-1-ol

2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpentan-1-ol (PubChem CID 106507820) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpentan-1-ol
PubChem CID106507820
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpentan-1-ol
SMILESCC(C)CC(CN)(CO)CC1COc2ccccc21
InChIInChI=1S/C16H25NO2/c1-12(2)7-16(10-17,11-18)8-13-9-19-15-6-4-3-5-14(13)15/h3-6,12-13,18H,7-11,17H2,1-2H3
InChIKeyZYWOAPXFJNOOMI-UHFFFAOYSA-N
XLogP2.54
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-ethylbutan-1-ol
CID 79220406
(3R)-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
CID 102429036
5-(2,3-dihydro-1-benzofuran-3-yl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 79229851
2-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]-2-methylpropan-1-ol
CID 113476276
1-(2,3-dihydro-1-benzofuran-3-yl)-4,4-dimethylpentan-3-amine
CID 79229480
1-(2,3-dihydro-1-benzofuran-3-yl)-2-phenylbutan-2-amine
CID 79219919
4-(2,3-dihydro-1-benzofuran-3-yl)-2-methylbutanoic acid
CID 81008371
2-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-ol
CID 79218532
1-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]propan-2-ol
CID 79229669
3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-2-methylpropane-1,2-diol
CID 79226361
(2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid
CID 83194430
4-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanoic acid
CID 81008483

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpentan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpentan-1-ol (CID 106507820) is 2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpentan-1-ol is CC(C)CC(CN)(CO)CC1COc2ccccc21.
What is the InChIKey of 2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpentan-1-ol?
The InChIKey is ZYWOAPXFJNOOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)7-16(10-17,11-18)8-13-9-19-15-6-4-3-5-14(13)15/h3-6,12-13,18H,7-11,17H2,1-2H3.
What are the key properties of 2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpentan-1-ol?
2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpentan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpentan-1-ol is sourced from PubChem (CID 106507820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).