(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-4-ylethanamine

C17H20N2O — CID 99854678

IUPAC(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-4-ylethanamine
SMILESC[C@@H](c1ccncc1)N(C)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C17H20N2O/c1-13(15-5-8-18-9-6-15)19(2)12-14-3-4-17-16(11-14)7-10-20-17/h3-6,8-9,11,13H,7,10,12H2,1-2H3/t13-/m0/s1
InChIKeyZXLCXUHMAFYUAN-ZDUSSCGKSA-N
MW268.36 g/mol
LogP3.21
Rot. Bonds4

About (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-4-ylethanamine

(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-4-ylethanamine (PubChem CID 99854678) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-4-ylethanamine
PubChem CID99854678
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-4-ylethanamine
SMILESC[C@@H](c1ccncc1)N(C)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C17H20N2O/c1-13(15-5-8-18-9-6-15)19(2)12-14-3-4-17-16(11-14)7-10-20-17/h3-6,8-9,11,13H,7,10,12H2,1-2H3/t13-/m0/s1
InChIKeyZXLCXUHMAFYUAN-ZDUSSCGKSA-N
XLogP3.21
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138234
3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-4-ylpropan-1-ol
CID 65446224
(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine
CID 95226186
1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-4-ylpentan-3-ol
CID 105101130
(1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81406233
[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol
CID 115229208
2-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]butanoic acid
CID 65067942
2-[3,4-dihydro-2H-chromen-6-ylmethyl(methyl)amino]propanenitrile
CID 115130295
5-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpyrimidin-2-amine
CID 171328577
1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one
CID 66471641
1-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-4-ylpropan-1-ol
CID 105125169
4-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpentanamide
CID 115156754

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-4-ylethanamine?
The IUPAC name of (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-4-ylethanamine (CID 99854678) is (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-4-ylethanamine.
What is the SMILES notation for (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-4-ylethanamine?
The canonical SMILES for (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-4-ylethanamine is C[C@@H](c1ccncc1)N(C)Cc1ccc2c(c1)CCO2.
What is the InChIKey of (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-4-ylethanamine?
The InChIKey is ZXLCXUHMAFYUAN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13(15-5-8-18-9-6-15)19(2)12-14-3-4-17-16(11-14)7-10-20-17/h3-6,8-9,11,13H,7,10,12H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-4-ylethanamine?
(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-4-ylethanamine has a molecular weight of 268.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-4-ylethanamine is sourced from PubChem (CID 99854678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).