2-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-ol

C17H21NO — CID 63868258

IUPAC2-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-ol
SMILESC[C@H](NCC(C)(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21NO/c1-14(15-9-5-3-6-10-15)18-13-17(2,19)16-11-7-4-8-12-16/h3-12,14,18-19H,13H2,1-2H3/t14-,17?/m0/s1
InChIKeyKOXAKZDPDOJNBG-MBIQTGHCSA-N
MW255.36 g/mol
LogP3.24
Rot. Bonds5

About 2-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-ol

2-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-ol (PubChem CID 63868258) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name2-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-ol
PubChem CID63868258
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-ol
SMILESC[C@H](NCC(C)(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21NO/c1-14(15-9-5-3-6-10-15)18-13-17(2,19)16-11-7-4-8-12-16/h3-12,14,18-19H,13H2,1-2H3/t14-,17?/m0/s1
InChIKeyKOXAKZDPDOJNBG-MBIQTGHCSA-N
XLogP3.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-fluorophenyl)ethylamino]-2-phenylpropan-2-ol
CID 62374837
2-(4-methylsulfonylphenyl)-1-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 75517353
N-[3-[1-[(2-hydroxy-2-phenylpropyl)amino]ethyl]phenyl]acetamide
CID 110912716
2-phenyl-1-(1-phenylpropylamino)propan-2-ol
CID 62374681
1-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-phenylpropan-2-ol
CID 81379444
1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylpropan-2-ol
CID 81389941
1-(1-methylsulfanylpropan-2-ylamino)-2-phenylpropan-2-ol
CID 115638973
methyl 2-hydroxy-2-methyl-3-(1-phenylethylamino)propanoate
CID 104643578
2-methyl-4-[[(1S)-1-phenylethyl]amino]butan-2-ol
CID 10889092
2,2-dimethyl-3-(1-phenylethylamino)propanamide
CID 115667918
2-methyl-2-nitro-N-[(1R)-1-phenylethyl]propan-1-amine
CID 146294091
N-[1-(4-iodophenyl)ethyl]-2-methyl-2-phenylpropan-1-amine
CID 63451569

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-ol?
The IUPAC name of 2-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-ol (CID 63868258) is 2-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-ol.
What is the SMILES notation for 2-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-ol?
The canonical SMILES for 2-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-ol is C[C@H](NCC(C)(O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-ol?
The InChIKey is KOXAKZDPDOJNBG-MBIQTGHCSA-N. The full InChI is InChI=1S/C17H21NO/c1-14(15-9-5-3-6-10-15)18-13-17(2,19)16-11-7-4-8-12-16/h3-12,14,18-19H,13H2,1-2H3/t14-,17?/m0/s1.
What are the key properties of 2-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-ol?
2-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-ol has a molecular weight of 255.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-ol is sourced from PubChem (CID 63868258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).