4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]benzamide

C16H18N2O2 — CID 103766364

IUPAC4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]benzamide
SMILESNC(=O)c1ccc(CN[C@@H](CO)c2ccccc2)cc1
InChIInChI=1S/C16H18N2O2/c17-16(20)14-8-6-12(7-9-14)10-18-15(11-19)13-4-2-1-3-5-13/h1-9,15,18-19H,10-11H2,(H2,17,20)/t15-/m0/s1
InChIKeyVAHRIPMXTNSWRD-HNNXBMFYSA-N
MW270.33 g/mol
LogP1.61
Rot. Bonds6

About 4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]benzamide

4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]benzamide (PubChem CID 103766364) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]benzamide
PubChem CID103766364
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]benzamide
SMILESNC(=O)c1ccc(CN[C@@H](CO)c2ccccc2)cc1
InChIInChI=1S/C16H18N2O2/c17-16(20)14-8-6-12(7-9-14)10-18-15(11-19)13-4-2-1-3-5-13/h1-9,15,18-19H,10-11H2,(H2,17,20)/t15-/m0/s1
InChIKeyVAHRIPMXTNSWRD-HNNXBMFYSA-N
XLogP1.61
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(4-hydroxy-1-phenylbutyl)amino]methyl]benzamide
CID 111449752
4-N-(2-hydroxy-1-phenylethyl)benzene-1,4-dicarboxamide
CID 63182176
4-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]benzamide
CID 34716636
(2R)-2-[[4-(difluoromethyl)phenyl]methylamino]-2-phenylethanol
CID 104709077
(2R)-2-[(4-cyclopropylphenyl)methylamino]-2-phenylethanol
CID 107862540
4-[(1-phenylpropan-2-ylamino)methyl]benzamide
CID 63012099
3-[(4-methylphenyl)methylamino]-3-phenylpropanamide
CID 22386201
2-(benzylamino)-2-(4-chlorophenyl)ethanol
CID 61046547
(3R)-3-(benzylamino)-3-phenylpropanoic acid
CID 753607
2-[(4-butoxyphenyl)methylamino]-2-phenylethanol
CID 119134482
N'-hydroxy-4-[(1-phenylpropylamino)methyl]benzenecarboximidamide
CID 77030088
(2R)-2-phenyl-2-(thiophen-3-ylmethylamino)ethanol
CID 103766360

Frequently Asked Questions

What is the IUPAC name of 4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]benzamide?
The IUPAC name of 4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]benzamide (CID 103766364) is 4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]benzamide.
What is the SMILES notation for 4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]benzamide?
The canonical SMILES for 4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]benzamide is NC(=O)c1ccc(CN[C@@H](CO)c2ccccc2)cc1.
What is the InChIKey of 4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]benzamide?
The InChIKey is VAHRIPMXTNSWRD-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-16(20)14-8-6-12(7-9-14)10-18-15(11-19)13-4-2-1-3-5-13/h1-9,15,18-19H,10-11H2,(H2,17,20)/t15-/m0/s1.
What are the key properties of 4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]benzamide?
4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]benzamide has a molecular weight of 270.33 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]benzamide is sourced from PubChem (CID 103766364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).