2-(aminomethyl)-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-1-ol

C14H21NO2 — CID 64508349

IUPAC2-(aminomethyl)-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-1-ol
SMILESCC1(C)Cc2cccc(CC(CN)CO)c2O1
InChIInChI=1S/C14H21NO2/c1-14(2)7-12-5-3-4-11(13(12)17-14)6-10(8-15)9-16/h3-5,10,16H,6-9,15H2,1-2H3
InChIKeyWTXQRZBMUPYXSA-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.51
Rot. Bonds4

About 2-(aminomethyl)-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-1-ol

2-(aminomethyl)-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-1-ol (PubChem CID 64508349) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-1-ol
PubChem CID64508349
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(aminomethyl)-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-1-ol
SMILESCC1(C)Cc2cccc(CC(CN)CO)c2O1
InChIInChI=1S/C14H21NO2/c1-14(2)7-12-5-3-4-11(13(12)17-14)6-10(8-15)9-16/h3-5,10,16H,6-9,15H2,1-2H3
InChIKeyWTXQRZBMUPYXSA-UHFFFAOYSA-N
XLogP1.51
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
CID 18525713
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-2-amine
CID 64508577
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylpropan-2-amine
CID 117313350
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-ol
CID 117311226
(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl carbamate
CID 54471045
[1-(aminomethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]methanol
CID 64510953
2-acetamido-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)propanoic acid
CID 64509475
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethanamine
CID 64865974
2-[1-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114750045
2-amino-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propan-1-ol
CID 64804801
1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propan-2-amine
CID 117313385
4-(2,2-dimethyl-3H-1-benzofuran-7-yl)butanoic acid
CID 64507705

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-1-ol (CID 64508349) is 2-(aminomethyl)-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-1-ol is CC1(C)Cc2cccc(CC(CN)CO)c2O1.
What is the InChIKey of 2-(aminomethyl)-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-1-ol?
The InChIKey is WTXQRZBMUPYXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(2)7-12-5-3-4-11(13(12)17-14)6-10(8-15)9-16/h3-5,10,16H,6-9,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-1-ol?
2-(aminomethyl)-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-1-ol is sourced from PubChem (CID 64508349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).