2-[4-(aminomethyl)phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide

C17H20N2O2 — CID 107861946

IUPAC2-[4-(aminomethyl)phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
SMILESNCc1ccc(CC(=O)N[C@@H](CO)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c18-11-14-8-6-13(7-9-14)10-17(21)19-16(12-20)15-4-2-1-3-5-15/h1-9,16,20H,10-12,18H2,(H,19,21)/t16-/m0/s1
InChIKeyLHCDCYVARZPTPY-INIZCTEOSA-N
MW284.36 g/mol
LogP1.54
Rot. Bonds6

About 2-[4-(aminomethyl)phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide

2-[4-(aminomethyl)phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide (PubChem CID 107861946) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
PubChem CID107861946
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-[4-(aminomethyl)phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
SMILESNCc1ccc(CC(=O)N[C@@H](CO)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c18-11-14-8-6-13(7-9-14)10-17(21)19-16(12-20)15-4-2-1-3-5-15/h1-9,16,20H,10-12,18H2,(H,19,21)/t16-/m0/s1
InChIKeyLHCDCYVARZPTPY-INIZCTEOSA-N
XLogP1.54
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminophenyl)-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63184600
2-(4-hydroxyphenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103945145
2-[2-(aminomethyl)phenyl]-N-(2-hydroxy-1-phenylethyl)acetamide
CID 81312733
2-(4-chlorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 39394106
N-(2-hydroxy-1-phenylethyl)-2-(4-methylphenyl)acetamide
CID 63184520
2-[4-(aminomethyl)phenyl]-N-[(1R)-1-phenylethyl]acetamide
CID 107863936
2-(3-hydroxyphenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 103946363
2-(3-hydroxyphenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103946380
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(3-methylphenyl)acetamide
CID 103945384
4-amino-N-(2-hydroxy-1-phenylethyl)-3-methylbutanamide
CID 81080405
7-amino-N-(2-hydroxy-1-phenylethyl)heptanamide
CID 63183869
2-(2-amino-1,3-thiazol-4-yl)-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63183740

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide (CID 107861946) is 2-[4-(aminomethyl)phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide is NCc1ccc(CC(=O)N[C@@H](CO)c2ccccc2)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide?
The InChIKey is LHCDCYVARZPTPY-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20N2O2/c18-11-14-8-6-13(7-9-14)10-17(21)19-16(12-20)15-4-2-1-3-5-15/h1-9,16,20H,10-12,18H2,(H,19,21)/t16-/m0/s1.
What are the key properties of 2-[4-(aminomethyl)phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide?
2-[4-(aminomethyl)phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide has a molecular weight of 284.36 g/mol, XLogP of 1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide is sourced from PubChem (CID 107861946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).