(2S)-2-[(2-methylphenyl)methylamino]-3-phenylpropan-1-ol

C17H21NO — CID 102610215

IUPAC(2S)-2-[(2-methylphenyl)methylamino]-3-phenylpropan-1-ol
SMILESCc1ccccc1CN[C@H](CO)Cc1ccccc1
InChIInChI=1S/C17H21NO/c1-14-7-5-6-10-16(14)12-18-17(13-19)11-15-8-3-2-4-9-15/h2-10,17-19H,11-13H2,1H3/t17-/m0/s1
InChIKeyNPEUOYQWQHWLFK-KRWDZBQOSA-N
MW255.36 g/mol
LogP2.69
Rot. Bonds6

About (2S)-2-[(2-methylphenyl)methylamino]-3-phenylpropan-1-ol

(2S)-2-[(2-methylphenyl)methylamino]-3-phenylpropan-1-ol (PubChem CID 102610215) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (2S)-2-[(2-methylphenyl)methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2-methylphenyl)methylamino]-3-phenylpropan-1-ol
PubChem CID102610215
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(2S)-2-[(2-methylphenyl)methylamino]-3-phenylpropan-1-ol
SMILESCc1ccccc1CN[C@H](CO)Cc1ccccc1
InChIInChI=1S/C17H21NO/c1-14-7-5-6-10-16(14)12-18-17(13-19)11-15-8-3-2-4-9-15/h2-10,17-19H,11-13H2,1H3/t17-/m0/s1
InChIKeyNPEUOYQWQHWLFK-KRWDZBQOSA-N
XLogP2.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(5-fluoro-2-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 102610067
(2S)-2-[(2-chlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 6612703
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-methylphenyl)acetamide
CID 102673740
2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropan-1-ol
CID 55167666
4-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]benzene-1,2,3-triol
CID 107860798
2-chloro-6-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]phenol
CID 115907196
(2R)-2-[(3-methylthiophen-2-yl)methylamino]-3-phenylpropan-1-ol
CID 104922908
4-[[[1-hydroxy-3-(2-methylphenyl)propan-2-yl]amino]methyl]benzoic acid
CID 122033305
(2R)-2-[(3-bromo-4-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 104922947
N-(1-hydroxy-3-phenylpropan-2-yl)-1-(2-methylphenyl)methanesulfonamide
CID 75387057
4-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 103251242
4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
CID 102809787

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methylphenyl)methylamino]-3-phenylpropan-1-ol?
The IUPAC name of (2S)-2-[(2-methylphenyl)methylamino]-3-phenylpropan-1-ol (CID 102610215) is (2S)-2-[(2-methylphenyl)methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (2S)-2-[(2-methylphenyl)methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for (2S)-2-[(2-methylphenyl)methylamino]-3-phenylpropan-1-ol is Cc1ccccc1CN[C@H](CO)Cc1ccccc1.
What is the InChIKey of (2S)-2-[(2-methylphenyl)methylamino]-3-phenylpropan-1-ol?
The InChIKey is NPEUOYQWQHWLFK-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21NO/c1-14-7-5-6-10-16(14)12-18-17(13-19)11-15-8-3-2-4-9-15/h2-10,17-19H,11-13H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-2-[(2-methylphenyl)methylamino]-3-phenylpropan-1-ol?
(2S)-2-[(2-methylphenyl)methylamino]-3-phenylpropan-1-ol has a molecular weight of 255.36 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methylphenyl)methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 102610215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).