(1R)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyridin-3-ylethanamine

C18H20N2O — CID 81393232

IUPAC(1R)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyridin-3-ylethanamine
SMILESCc1c(C(C)N[C@H](C)c2cccnc2)oc2ccccc12
InChIInChI=1S/C18H20N2O/c1-12-16-8-4-5-9-17(16)21-18(12)14(3)20-13(2)15-7-6-10-19-11-15/h4-11,13-14,20H,1-3H3/t13-,14?/m1/s1
InChIKeyRFEAMWCRCXDEGP-KWCCSABGSA-N
MW280.37 g/mol
LogP4.55
Rot. Bonds4

About (1R)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyridin-3-ylethanamine

(1R)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyridin-3-ylethanamine (PubChem CID 81393232) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (1R)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyridin-3-ylethanamine
PubChem CID81393232
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(1R)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyridin-3-ylethanamine
SMILESCc1c(C(C)N[C@H](C)c2cccnc2)oc2ccccc12
InChIInChI=1S/C18H20N2O/c1-12-16-8-4-5-9-17(16)21-18(12)14(3)20-13(2)15-7-6-10-19-11-15/h4-11,13-14,20H,1-3H3/t13-,14?/m1/s1
InChIKeyRFEAMWCRCXDEGP-KWCCSABGSA-N
XLogP4.55
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyridin-3-ylethanamine?
The IUPAC name of (1R)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyridin-3-ylethanamine (CID 81393232) is (1R)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for (1R)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for (1R)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyridin-3-ylethanamine is Cc1c(C(C)N[C@H](C)c2cccnc2)oc2ccccc12.
What is the InChIKey of (1R)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyridin-3-ylethanamine?
The InChIKey is RFEAMWCRCXDEGP-KWCCSABGSA-N. The full InChI is InChI=1S/C18H20N2O/c1-12-16-8-4-5-9-17(16)21-18(12)14(3)20-13(2)15-7-6-10-19-11-15/h4-11,13-14,20H,1-3H3/t13-,14?/m1/s1.
What are the key properties of (1R)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyridin-3-ylethanamine?
(1R)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyridin-3-ylethanamine has a molecular weight of 280.37 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 81393232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).