N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,5-dimethylaniline

C17H19NO — CID 43804100

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,5-dimethylaniline
SMILESCc1cc(C)cc(NCc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C17H19NO/c1-12-7-13(2)9-16(8-12)18-11-14-3-4-17-15(10-14)5-6-19-17/h3-4,7-10,18H,5-6,11H2,1-2H3
InChIKeyJUAFYIKWUOOAMB-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.85
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,5-dimethylaniline

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,5-dimethylaniline (PubChem CID 43804100) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,5-dimethylaniline.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,5-dimethylaniline
PubChem CID43804100
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,5-dimethylaniline
SMILESCc1cc(C)cc(NCc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C17H19NO/c1-12-7-13(2)9-16(8-12)18-11-14-3-4-17-15(10-14)5-6-19-17/h3-4,7-10,18H,5-6,11H2,1-2H3
InChIKeyJUAFYIKWUOOAMB-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methylaniline
CID 63333075
N-[(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 105401308
3,5-dichloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoroaniline
CID 107572629
N-[(3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43426553
N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732631
4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)benzonitrile
CID 43804098
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(methoxymethyl)aniline
CID 43804284
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 62097571
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methoxy-5-methylaniline
CID 43804057
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-iodo-2-methylaniline
CID 43804363
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-ethylpyrazol-4-amine
CID 43804263
N-[(3-bromo-4-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43788544

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,5-dimethylaniline?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,5-dimethylaniline (CID 43804100) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,5-dimethylaniline.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,5-dimethylaniline?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,5-dimethylaniline is Cc1cc(C)cc(NCc2ccc3c(c2)CCO3)c1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,5-dimethylaniline?
The InChIKey is JUAFYIKWUOOAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-12-7-13(2)9-16(8-12)18-11-14-3-4-17-15(10-14)5-6-19-17/h3-4,7-10,18H,5-6,11H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,5-dimethylaniline?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,5-dimethylaniline has a molecular weight of 253.34 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,5-dimethylaniline is sourced from PubChem (CID 43804100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).