(1S)-N-(1-benzofuran-2-ylmethyl)-1-phenylethanamine

C17H17NO — CID 28609841

IUPAC(1S)-N-(1-benzofuran-2-ylmethyl)-1-phenylethanamine
SMILESC[C@H](NCc1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C17H17NO/c1-13(14-7-3-2-4-8-14)18-12-16-11-15-9-5-6-10-17(15)19-16/h2-11,13,18H,12H2,1H3/t13-/m0/s1
InChIKeyUYADJEAHCDMQMP-ZDUSSCGKSA-N
MW251.33 g/mol
LogP4.28
Rot. Bonds4

About (1S)-N-(1-benzofuran-2-ylmethyl)-1-phenylethanamine

(1S)-N-(1-benzofuran-2-ylmethyl)-1-phenylethanamine (PubChem CID 28609841) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (1S)-N-(1-benzofuran-2-ylmethyl)-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-N-(1-benzofuran-2-ylmethyl)-1-phenylethanamine
PubChem CID28609841
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(1S)-N-(1-benzofuran-2-ylmethyl)-1-phenylethanamine
SMILESC[C@H](NCc1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C17H17NO/c1-13(14-7-3-2-4-8-14)18-12-16-11-15-9-5-6-10-17(15)19-16/h2-11,13,18H,12H2,1H3/t13-/m0/s1
InChIKeyUYADJEAHCDMQMP-ZDUSSCGKSA-N
XLogP4.28
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-(1-benzofuran-2-ylmethyl)-1-(furan-2-yl)ethanamine
CID 81403388
(1R)-N-(1-benzofuran-2-ylmethyl)-1-(2-methylphenyl)ethanamine
CID 28653087
(2S)-2-(1-benzofuran-2-ylmethylamino)propan-1-ol
CID 93082461
(2S)-2-(1-benzofuran-2-ylmethylamino)-3-methylbutan-1-ol
CID 79254599
1-(1-benzofuran-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 75532587
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
3-(1-benzofuran-2-ylmethylamino)-2-methylsulfanylbutan-1-ol
CID 103685027
[5-[[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol
CID 79032632
(2S)-2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 57149915
N-(1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 78966709

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(1-benzofuran-2-ylmethyl)-1-phenylethanamine?
The IUPAC name of (1S)-N-(1-benzofuran-2-ylmethyl)-1-phenylethanamine (CID 28609841) is (1S)-N-(1-benzofuran-2-ylmethyl)-1-phenylethanamine.
What is the SMILES notation for (1S)-N-(1-benzofuran-2-ylmethyl)-1-phenylethanamine?
The canonical SMILES for (1S)-N-(1-benzofuran-2-ylmethyl)-1-phenylethanamine is C[C@H](NCc1cc2ccccc2o1)c1ccccc1.
What is the InChIKey of (1S)-N-(1-benzofuran-2-ylmethyl)-1-phenylethanamine?
The InChIKey is UYADJEAHCDMQMP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17NO/c1-13(14-7-3-2-4-8-14)18-12-16-11-15-9-5-6-10-17(15)19-16/h2-11,13,18H,12H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-N-(1-benzofuran-2-ylmethyl)-1-phenylethanamine?
(1S)-N-(1-benzofuran-2-ylmethyl)-1-phenylethanamine has a molecular weight of 251.33 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(1-benzofuran-2-ylmethyl)-1-phenylethanamine is sourced from PubChem (CID 28609841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).