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

C17H20N2O — CID 107863936

IUPAC2-[4-(aminomethyl)phenyl]-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)Cc1ccc(CN)cc1)c1ccccc1
InChIInChI=1S/C17H20N2O/c1-13(16-5-3-2-4-6-16)19-17(20)11-14-7-9-15(12-18)10-8-14/h2-10,13H,11-12,18H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyBQUNQVNBAISTTL-CYBMUJFWSA-N
MW268.36 g/mol
LogP2.57
Rot. Bonds5

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

2-[4-(aminomethyl)phenyl]-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 107863936) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-N-[(1R)-1-phenylethyl]acetamide
PubChem CID107863936
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-[4-(aminomethyl)phenyl]-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)Cc1ccc(CN)cc1)c1ccccc1
InChIInChI=1S/C17H20N2O/c1-13(16-5-3-2-4-6-16)19-17(20)11-14-7-9-15(12-18)10-8-14/h2-10,13H,11-12,18H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyBQUNQVNBAISTTL-CYBMUJFWSA-N
XLogP2.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(aminomethyl)phenyl]-N-(1-pyridin-4-ylethyl)acetamide
CID 63590307
2-[4-(2-methylpropyl)phenyl]-N-(1-phenylethyl)acetamide
CID 86249193
2-(4-carbamothioylphenyl)-N-(1-phenylethyl)acetamide
CID 63589427
2-amino-N-(1-phenylethyl)acetamide
CID 10631169
N-[1-(4-ethylphenyl)ethyl]-2-phenylacetamide
CID 2854113
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
2-[4-(aminomethyl)phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 107861946
2-(4-nitrophenyl)-N-(1-phenylethyl)acetamide
CID 2726136
2-(3,4-dihydroxyphenyl)-N-(1-phenylethyl)acetamide
CID 113199018
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141
N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
CID 28558064
2-naphthalen-1-yl-N-[(1S)-1-phenylethyl]acetamide
CID 1225206

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-N-[(1R)-1-phenylethyl]acetamide (CID 107863936) is 2-[4-(aminomethyl)phenyl]-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-N-[(1R)-1-phenylethyl]acetamide is C[C@@H](NC(=O)Cc1ccc(CN)cc1)c1ccccc1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is BQUNQVNBAISTTL-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13(16-5-3-2-4-6-16)19-17(20)11-14-7-9-15(12-18)10-8-14/h2-10,13H,11-12,18H2,1H3,(H,19,20)/t13-/m1/s1.
What are the key properties of 2-[4-(aminomethyl)phenyl]-N-[(1R)-1-phenylethyl]acetamide?
2-[4-(aminomethyl)phenyl]-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 268.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 107863936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).