(1R)-N-(1-benzofuran-2-ylmethyl)-1-(2-methylphenyl)ethanamine

C18H19NO — CID 28653087

IUPAC(1R)-N-(1-benzofuran-2-ylmethyl)-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1[C@@H](C)NCc1cc2ccccc2o1
InChIInChI=1S/C18H19NO/c1-13-7-3-5-9-17(13)14(2)19-12-16-11-15-8-4-6-10-18(15)20-16/h3-11,14,19H,12H2,1-2H3/t14-/m1/s1
InChIKeyCBYHWCILEVDBLP-CQSZACIVSA-N
MW265.36 g/mol
LogP4.59
Rot. Bonds4

About (1R)-N-(1-benzofuran-2-ylmethyl)-1-(2-methylphenyl)ethanamine

(1R)-N-(1-benzofuran-2-ylmethyl)-1-(2-methylphenyl)ethanamine (PubChem CID 28653087) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (1R)-N-(1-benzofuran-2-ylmethyl)-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-(1-benzofuran-2-ylmethyl)-1-(2-methylphenyl)ethanamine
PubChem CID28653087
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(1R)-N-(1-benzofuran-2-ylmethyl)-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1[C@@H](C)NCc1cc2ccccc2o1
InChIInChI=1S/C18H19NO/c1-13-7-3-5-9-17(13)14(2)19-12-16-11-15-8-4-6-10-18(15)20-16/h3-11,14,19H,12H2,1-2H3/t14-/m1/s1
InChIKeyCBYHWCILEVDBLP-CQSZACIVSA-N
XLogP4.59
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-(1-benzofuran-2-ylmethyl)-1-phenylethanamine
CID 28609841
(1R)-N-(1-benzofuran-2-ylmethyl)-1-(furan-2-yl)ethanamine
CID 81403388
(2S)-2-(1-benzofuran-2-ylmethylamino)propan-1-ol
CID 93082461
(2S)-2-(1-benzofuran-2-ylmethylamino)-3-methylbutan-1-ol
CID 79254599
N-(1-benzofuran-2-ylmethyl)-1-methoxypropan-2-amine
CID 43180579
2-(1-benzofuran-2-ylmethylamino)propanamide
CID 43402391
N-(1-benzofuran-2-ylmethyl)-1-ethoxy-3-methylbutan-2-amine
CID 103271023
1-(2-methylphenyl)-N-[(5-nitrofuran-2-yl)methyl]ethanamine
CID 43767868
(1R)-1-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 29053404
1-(1-benzofuran-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 55387147
3-(1-benzofuran-2-ylmethylamino)-2-methylsulfanylbutan-1-ol
CID 103685027
N-(1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 78966709

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(1-benzofuran-2-ylmethyl)-1-(2-methylphenyl)ethanamine?
The IUPAC name of (1R)-N-(1-benzofuran-2-ylmethyl)-1-(2-methylphenyl)ethanamine (CID 28653087) is (1R)-N-(1-benzofuran-2-ylmethyl)-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-N-(1-benzofuran-2-ylmethyl)-1-(2-methylphenyl)ethanamine?
The canonical SMILES for (1R)-N-(1-benzofuran-2-ylmethyl)-1-(2-methylphenyl)ethanamine is Cc1ccccc1[C@@H](C)NCc1cc2ccccc2o1.
What is the InChIKey of (1R)-N-(1-benzofuran-2-ylmethyl)-1-(2-methylphenyl)ethanamine?
The InChIKey is CBYHWCILEVDBLP-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19NO/c1-13-7-3-5-9-17(13)14(2)19-12-16-11-15-8-4-6-10-18(15)20-16/h3-11,14,19H,12H2,1-2H3/t14-/m1/s1.
What are the key properties of (1R)-N-(1-benzofuran-2-ylmethyl)-1-(2-methylphenyl)ethanamine?
(1R)-N-(1-benzofuran-2-ylmethyl)-1-(2-methylphenyl)ethanamine has a molecular weight of 265.36 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(1-benzofuran-2-ylmethyl)-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 28653087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).