(1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-phenylethanamine

C17H19NO — CID 79036025

IUPAC(1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-phenylethanamine
SMILESC[C@@H](NCC1Cc2ccccc2O1)c1ccccc1
InChIInChI=1S/C17H19NO/c1-13(14-7-3-2-4-8-14)18-12-16-11-15-9-5-6-10-17(15)19-16/h2-10,13,16,18H,11-12H2,1H3/t13-,16?/m1/s1
InChIKeyMMERSPKAWAMMAC-JBZHPUCOSA-N
MW253.35 g/mol
LogP3.34
Rot. Bonds4

About (1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-phenylethanamine

(1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-phenylethanamine (PubChem CID 79036025) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-phenylethanamine
PubChem CID79036025
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-phenylethanamine
SMILESC[C@@H](NCC1Cc2ccccc2O1)c1ccccc1
InChIInChI=1S/C17H19NO/c1-13(14-7-3-2-4-8-14)18-12-16-11-15-9-5-6-10-17(15)19-16/h2-10,13,16,18H,11-12H2,1H3/t13-,16?/m1/s1
InChIKeyMMERSPKAWAMMAC-JBZHPUCOSA-N
XLogP3.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 61004141
(1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-fluorophenyl)ethanamine
CID 81365797
1-(3-bromophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine
CID 61003691
(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
1-(5-bromofuran-2-yl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine
CID 104652832
(1R)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylethanamine
CID 155091223
(2S)-2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,2-diamine
CID 104867584
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-phenylpropanenitrile
CID 62779378
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612385
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948627
4-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)butan-2-amine
CID 83186640

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-phenylethanamine?
The IUPAC name of (1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-phenylethanamine (CID 79036025) is (1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-phenylethanamine.
What is the SMILES notation for (1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-phenylethanamine?
The canonical SMILES for (1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-phenylethanamine is C[C@@H](NCC1Cc2ccccc2O1)c1ccccc1.
What is the InChIKey of (1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-phenylethanamine?
The InChIKey is MMERSPKAWAMMAC-JBZHPUCOSA-N. The full InChI is InChI=1S/C17H19NO/c1-13(14-7-3-2-4-8-14)18-12-16-11-15-9-5-6-10-17(15)19-16/h2-10,13,16,18H,11-12H2,1H3/t13-,16?/m1/s1.
What are the key properties of (1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-phenylethanamine?
(1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-phenylethanamine has a molecular weight of 253.35 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-phenylethanamine is sourced from PubChem (CID 79036025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).