(1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-methylphenyl)ethanamine

C19H23NO — CID 81347474

IUPAC(1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@@H](C)NC(C)c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C19H23NO/c1-13-4-6-16(7-5-13)14(2)20-15(3)17-8-9-19-18(12-17)10-11-21-19/h4-9,12,14-15,20H,10-11H2,1-3H3/t14-,15?/m1/s1
InChIKeyJNFVMZGKSXRFNF-GICMACPYSA-N
MW281.40 g/mol
LogP4.34
Rot. Bonds4

About (1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-methylphenyl)ethanamine

(1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-methylphenyl)ethanamine (PubChem CID 81347474) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-methylphenyl)ethanamine
PubChem CID81347474
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@@H](C)NC(C)c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C19H23NO/c1-13-4-6-16(7-5-13)14(2)20-15(3)17-8-9-19-18(12-17)10-11-21-19/h4-9,12,14-15,20H,10-11H2,1-3H3/t14-,15?/m1/s1
InChIKeyJNFVMZGKSXRFNF-GICMACPYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81406233
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 61473512
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]propanamide
CID 43777118
(1S)-1-(3-bromophenyl)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine
CID 81382292
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylpentan-2-amine
CID 43775759
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-thiophen-3-ylethyl)ethanamine
CID 62842384
1-cyclohexyl-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine
CID 62405191
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43482586
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpentan-3-amine
CID 54954752
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 81379156
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115721971
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-N,N-dimethylpropanamide
CID 43778171

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-methylphenyl)ethanamine?
The IUPAC name of (1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-methylphenyl)ethanamine (CID 81347474) is (1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-methylphenyl)ethanamine?
The canonical SMILES for (1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-methylphenyl)ethanamine is Cc1ccc([C@@H](C)NC(C)c2ccc3c(c2)CCO3)cc1.
What is the InChIKey of (1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-methylphenyl)ethanamine?
The InChIKey is JNFVMZGKSXRFNF-GICMACPYSA-N. The full InChI is InChI=1S/C19H23NO/c1-13-4-6-16(7-5-13)14(2)20-15(3)17-8-9-19-18(12-17)10-11-21-19/h4-9,12,14-15,20H,10-11H2,1-3H3/t14-,15?/m1/s1.
What are the key properties of (1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-methylphenyl)ethanamine?
(1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-methylphenyl)ethanamine has a molecular weight of 281.40 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 81347474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).