(1R)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-4-ylethanamine

C17H20N2O — CID 81410662

IUPAC(1R)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-4-ylethanamine
SMILESCc1ccc2c(c1)CC(CN[C@H](C)c1ccncc1)O2
InChIInChI=1S/C17H20N2O/c1-12-3-4-17-15(9-12)10-16(20-17)11-19-13(2)14-5-7-18-8-6-14/h3-9,13,16,19H,10-11H2,1-2H3/t13-,16?/m1/s1
InChIKeyLGRKWFZXUYYYFD-JBZHPUCOSA-N
MW268.36 g/mol
LogP3.04
Rot. Bonds4

About (1R)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-4-ylethanamine

(1R)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-4-ylethanamine (PubChem CID 81410662) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is (1R)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-4-ylethanamine
PubChem CID81410662
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name(1R)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-4-ylethanamine
SMILESCc1ccc2c(c1)CC(CN[C@H](C)c1ccncc1)O2
InChIInChI=1S/C17H20N2O/c1-12-3-4-17-15(9-12)10-16(20-17)11-19-13(2)14-5-7-18-8-6-14/h3-9,13,16,19H,10-11H2,1-2H3/t13-,16?/m1/s1
InChIKeyLGRKWFZXUYYYFD-JBZHPUCOSA-N
XLogP3.04
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81409531
1-(3-fluorophenyl)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 66361926
3,3-dimethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 104828148
1-N,1-N-dimethyl-2-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,2-diamine
CID 82939013
2-methyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-3-amine
CID 66360193
(1R)-N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 81367322
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine
CID 66362896
(1S)-N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenylethanamine
CID 66392619
(1S)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenylethanamine
CID 66364892
(1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-phenylethanamine
CID 79036025
N-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propan-2-amine
CID 66360873
(1S)-N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(3-chlorophenyl)ethanamine
CID 81370641

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-4-ylethanamine?
The IUPAC name of (1R)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-4-ylethanamine (CID 81410662) is (1R)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for (1R)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for (1R)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-4-ylethanamine is Cc1ccc2c(c1)CC(CN[C@H](C)c1ccncc1)O2.
What is the InChIKey of (1R)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-4-ylethanamine?
The InChIKey is LGRKWFZXUYYYFD-JBZHPUCOSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-3-4-17-15(9-12)10-16(20-17)11-19-13(2)14-5-7-18-8-6-14/h3-9,13,16,19H,10-11H2,1-2H3/t13-,16?/m1/s1.
What are the key properties of (1R)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-4-ylethanamine?
(1R)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-4-ylethanamine has a molecular weight of 268.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 81410662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).