bis(1,3-dihydro-2-benzofuran-5-yl)methanamine

C17H17NO2 — CID 63731634

IUPACbis(1,3-dihydro-2-benzofuran-5-yl)methanamine
SMILESNC(c1ccc2c(c1)COC2)c1ccc2c(c1)COC2
InChIInChI=1S/C17H17NO2/c18-17(11-1-3-13-7-19-9-15(13)5-11)12-2-4-14-8-20-10-16(14)6-12/h1-6,17H,7-10,18H2
InChIKeyNSZSWUCKYNBAJR-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.80
Rot. Bonds2

About bis(1,3-dihydro-2-benzofuran-5-yl)methanamine

bis(1,3-dihydro-2-benzofuran-5-yl)methanamine (PubChem CID 63731634) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is bis(1,3-dihydro-2-benzofuran-5-yl)methanamine.

Molecular Properties

Compound Namebis(1,3-dihydro-2-benzofuran-5-yl)methanamine
PubChem CID63731634
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Namebis(1,3-dihydro-2-benzofuran-5-yl)methanamine
SMILESNC(c1ccc2c(c1)COC2)c1ccc2c(c1)COC2
InChIInChI=1S/C17H17NO2/c18-17(11-1-3-13-7-19-9-15(13)5-11)12-2-4-14-8-20-10-16(14)6-12/h1-6,17H,7-10,18H2
InChIKeyNSZSWUCKYNBAJR-UHFFFAOYSA-N
XLogP2.80
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Aminomethyl-1-(3-dimethylamino-propyl)-1-(4-fluoro-phenyl)-1,3-dihydro-isobenzofuran
CID 11472927
(1,3-Dihydro-2-benzofuran-5-yl)methanamine hydrochloride
CID 47002851
2-(1,3-Dihydro-2-benzofuran-5-yl)ethan-1-amine hydrochloride
CID 121553128
(1,3-Dihydroisobenzofuran-5-yl)methanamine
CID 47002852
1-(1,1-Dimethyl-1,3-dihydro-2-benzofuran-5-yl)methanamine hydrochloride
CID 154878850
(1,3-Dihydro-2-benzofuran-4-yl)methanamine hydrochloride
CID 165876557
2-(1,3-Dihydro-2-benzofuran-5-yl)ethan-1-amine
CID 12751752
[1-(4-Fluorophenyl)-1,3-dihydro-2-benzofuran-5-yl]methanamine
CID 18761816
1-[3-Amino-3-(4-fluorophenyl)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile
CID 68583839
4-Amino-4-(1,3-dihydro-2-benzofuran-5-yl)-4-(4-fluorophenyl)butanenitrile
CID 68912962
3-[6-(aminomethyl)-3-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
CID 69968009
1-(1,1-Dimethyl-1,3-dihydro-2-benzofuran-5-yl)methanamine
CID 132254905

Frequently Asked Questions

What is the IUPAC name of bis(1,3-dihydro-2-benzofuran-5-yl)methanamine?
The IUPAC name of bis(1,3-dihydro-2-benzofuran-5-yl)methanamine (CID 63731634) is bis(1,3-dihydro-2-benzofuran-5-yl)methanamine.
What is the SMILES notation for bis(1,3-dihydro-2-benzofuran-5-yl)methanamine?
The canonical SMILES for bis(1,3-dihydro-2-benzofuran-5-yl)methanamine is NC(c1ccc2c(c1)COC2)c1ccc2c(c1)COC2.
What is the InChIKey of bis(1,3-dihydro-2-benzofuran-5-yl)methanamine?
The InChIKey is NSZSWUCKYNBAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c18-17(11-1-3-13-7-19-9-15(13)5-11)12-2-4-14-8-20-10-16(14)6-12/h1-6,17H,7-10,18H2.
What are the key properties of bis(1,3-dihydro-2-benzofuran-5-yl)methanamine?
bis(1,3-dihydro-2-benzofuran-5-yl)methanamine has a molecular weight of 267.33 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,3-dihydro-2-benzofuran-5-yl)methanamine is sourced from PubChem (CID 63731634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).