4-[[methyl-[(1R)-1-(3-thiophen-2-ylphenyl)ethyl]amino]methyl]phenol

C20H21NOS — CID 177380682

IUPAC4-[[methyl-[(1R)-1-(3-thiophen-2-ylphenyl)ethyl]amino]methyl]phenol
SMILESC[C@H](c1cccc(-c2cccs2)c1)N(C)Cc1ccc(O)cc1
InChIInChI=1S/C20H21NOS/c1-15(21(2)14-16-8-10-19(22)11-9-16)17-5-3-6-18(13-17)20-7-4-12-23-20/h3-13,15,22H,14H2,1-2H3/t15-/m1/s1
InChIKeyAAXLGTZNRDQLGI-OAHLLOKOSA-N
MW323.46 g/mol
LogP5.31
Rot. Bonds5

About 4-[[methyl-[(1R)-1-(3-thiophen-2-ylphenyl)ethyl]amino]methyl]phenol

4-[[methyl-[(1R)-1-(3-thiophen-2-ylphenyl)ethyl]amino]methyl]phenol (PubChem CID 177380682) has the molecular formula C20H21NOS and a molecular weight of 323.46 g/mol. Its IUPAC name is 4-[[methyl-[(1R)-1-(3-thiophen-2-ylphenyl)ethyl]amino]methyl]phenol.

Molecular Properties

Compound Name4-[[methyl-[(1R)-1-(3-thiophen-2-ylphenyl)ethyl]amino]methyl]phenol
PubChem CID177380682
Molecular FormulaC20H21NOS
Molecular Weight323.46 g/mol
Exact Mass323.13
IUPAC Name4-[[methyl-[(1R)-1-(3-thiophen-2-ylphenyl)ethyl]amino]methyl]phenol
SMILESC[C@H](c1cccc(-c2cccs2)c1)N(C)Cc1ccc(O)cc1
InChIInChI=1S/C20H21NOS/c1-15(21(2)14-16-8-10-19(22)11-9-16)17-5-3-6-18(13-17)20-7-4-12-23-20/h3-13,15,22H,14H2,1-2H3/t15-/m1/s1
InChIKeyAAXLGTZNRDQLGI-OAHLLOKOSA-N
XLogP5.31
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.46
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[(1R)-1-(3-thiophen-2-ylphenyl)ethyl]amino]methyl]phenol?
The IUPAC name of 4-[[methyl-[(1R)-1-(3-thiophen-2-ylphenyl)ethyl]amino]methyl]phenol (CID 177380682) is 4-[[methyl-[(1R)-1-(3-thiophen-2-ylphenyl)ethyl]amino]methyl]phenol.
What is the SMILES notation for 4-[[methyl-[(1R)-1-(3-thiophen-2-ylphenyl)ethyl]amino]methyl]phenol?
The canonical SMILES for 4-[[methyl-[(1R)-1-(3-thiophen-2-ylphenyl)ethyl]amino]methyl]phenol is C[C@H](c1cccc(-c2cccs2)c1)N(C)Cc1ccc(O)cc1.
What is the InChIKey of 4-[[methyl-[(1R)-1-(3-thiophen-2-ylphenyl)ethyl]amino]methyl]phenol?
The InChIKey is AAXLGTZNRDQLGI-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21NOS/c1-15(21(2)14-16-8-10-19(22)11-9-16)17-5-3-6-18(13-17)20-7-4-12-23-20/h3-13,15,22H,14H2,1-2H3/t15-/m1/s1.
What are the key properties of 4-[[methyl-[(1R)-1-(3-thiophen-2-ylphenyl)ethyl]amino]methyl]phenol?
4-[[methyl-[(1R)-1-(3-thiophen-2-ylphenyl)ethyl]amino]methyl]phenol has a molecular weight of 323.46 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[(1R)-1-(3-thiophen-2-ylphenyl)ethyl]amino]methyl]phenol is sourced from PubChem (CID 177380682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).