[3-[(R)-phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methanol

C22H23NO — CID 131851990

IUPAC[3-[(R)-phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methanol
SMILESC[C@@H](N[C@H](c1ccccc1)c1cccc(CO)c1)c1ccccc1
InChIInChI=1S/C22H23NO/c1-17(19-10-4-2-5-11-19)23-22(20-12-6-3-7-13-20)21-14-8-9-18(15-21)16-24/h2-15,17,22-24H,16H2,1H3/t17-,22-/m1/s1
InChIKeyXKQBYHORXXWCOJ-VGOFRKELSA-N
MW317.43 g/mol
LogP4.62
Rot. Bonds6

About [3-[(R)-phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methanol

[3-[(R)-phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methanol (PubChem CID 131851990) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is [3-[(R)-phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(R)-phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methanol
PubChem CID131851990
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name[3-[(R)-phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methanol
SMILESC[C@@H](N[C@H](c1ccccc1)c1cccc(CO)c1)c1ccccc1
InChIInChI=1S/C22H23NO/c1-17(19-10-4-2-5-11-19)23-22(20-12-6-3-7-13-20)21-14-8-9-18(15-21)16-24/h2-15,17,22-24H,16H2,1H3/t17-,22-/m1/s1
InChIKeyXKQBYHORXXWCOJ-VGOFRKELSA-N
XLogP4.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[cyclohexyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methanol
CID 131851993
[3-[1-(ethylamino)ethyl]phenyl]methanol
CID 115776701
methyl 2-hydroxy-2-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]acetate
CID 139837903
[3-[phenyl-[(1R)-1-phenylethoxy]methyl]phenyl]methanol
CID 131851997
2-[[(3-methylphenyl)-phenylmethyl]amino]propan-1-ol
CID 144917101
2-(benzhydrylamino)propan-1-ol
CID 43499566
2-[3-[2-(1-phenylethylamino)propyl]phenyl]propanoic acid
CID 69325178
5-[[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methyl]-3-trityl-1,3-thiazolidine-2,4-dione
CID 139837970
[4-(1-phenylethylamino)phenyl]methanol
CID 112706513
[3-[(3-methyl-2-phenylbutyl)amino]phenyl]methanol
CID 107875961
2-hydroxy-2-[3-(hydroxymethyl)phenyl]-1-phenylethanone
CID 70540127
ethyl 3-[(4-methoxyphenyl)-[[(1R)-1-phenylethyl]amino]methyl]benzoate
CID 139837900

Frequently Asked Questions

What is the IUPAC name of [3-[(R)-phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methanol?
The IUPAC name of [3-[(R)-phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methanol (CID 131851990) is [3-[(R)-phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[(R)-phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methanol?
The canonical SMILES for [3-[(R)-phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methanol is C[C@@H](N[C@H](c1ccccc1)c1cccc(CO)c1)c1ccccc1.
What is the InChIKey of [3-[(R)-phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methanol?
The InChIKey is XKQBYHORXXWCOJ-VGOFRKELSA-N. The full InChI is InChI=1S/C22H23NO/c1-17(19-10-4-2-5-11-19)23-22(20-12-6-3-7-13-20)21-14-8-9-18(15-21)16-24/h2-15,17,22-24H,16H2,1H3/t17-,22-/m1/s1.
What are the key properties of [3-[(R)-phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methanol?
[3-[(R)-phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methanol has a molecular weight of 317.43 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(R)-phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methanol is sourced from PubChem (CID 131851990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).