[3-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)phenyl]methanamine

C16H17NO — CID 174553963

IUPAC[3-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)phenyl]methanamine
SMILESCc1cc2c(c(-c3cccc(CN)c3)c1)OCC2
InChIInChI=1S/C16H17NO/c1-11-7-14-5-6-18-16(14)15(8-11)13-4-2-3-12(9-13)10-17/h2-4,7-9H,5-6,10,17H2,1H3
InChIKeyPCLBQRHQQIVGLH-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.06
Rot. Bonds2

About [3-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)phenyl]methanamine

[3-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)phenyl]methanamine (PubChem CID 174553963) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is [3-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)phenyl]methanamine
PubChem CID174553963
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name[3-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)phenyl]methanamine
SMILESCc1cc2c(c(-c3cccc(CN)c3)c1)OCC2
InChIInChI=1S/C16H17NO/c1-11-7-14-5-6-18-16(14)15(8-11)13-4-2-3-12(9-13)10-17/h2-4,7-9H,5-6,10,17H2,1H3
InChIKeyPCLBQRHQQIVGLH-UHFFFAOYSA-N
XLogP3.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran;propane
CID 142100880
[3-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methanamine
CID 54910506
[3-(4-methylphenyl)phenyl]methanamine
CID 1392243
5-methyl-7-(5-methylthiophen-2-yl)-2,3-dihydro-1-benzofuran
CID 23543547
[5-(3,5-dimethylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
CID 104703299
[3-(2,4,5-trimethylphenyl)phenyl]methanamine
CID 64985236
2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)-5-(phenylmethoxymethyl)-1,3,4-oxadiazole
CID 166274301
7-(4-methylphenyl)-2,3-dihydro-1-benzofuran
CID 23543625
[3-[6-[3-(aminomethyl)phenyl]-9H-fluoren-3-yl]phenyl]methanamine
CID 158799416
2-[2-[3-(aminomethyl)phenyl]phenyl]aniline
CID 174455966
ethane;7-phenyl-2,3-dihydro-1-benzofuran;propane
CID 143222384
ethane;7-fluoro-5-methyl-2,3-dihydro-1-benzofuran
CID 177214189

Frequently Asked Questions

What is the IUPAC name of [3-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)phenyl]methanamine?
The IUPAC name of [3-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)phenyl]methanamine (CID 174553963) is [3-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)phenyl]methanamine.
What is the SMILES notation for [3-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)phenyl]methanamine?
The canonical SMILES for [3-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)phenyl]methanamine is Cc1cc2c(c(-c3cccc(CN)c3)c1)OCC2.
What is the InChIKey of [3-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)phenyl]methanamine?
The InChIKey is PCLBQRHQQIVGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-11-7-14-5-6-18-16(14)15(8-11)13-4-2-3-12(9-13)10-17/h2-4,7-9H,5-6,10,17H2,1H3.
What are the key properties of [3-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)phenyl]methanamine?
[3-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)phenyl]methanamine has a molecular weight of 239.32 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)phenyl]methanamine is sourced from PubChem (CID 174553963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).