2-[2-(aminomethyl)phenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide

C14H22N2O2 — CID 81322851

IUPAC2-[2-(aminomethyl)phenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@@H](CO)NC(=O)Cc1ccccc1CN
InChIInChI=1S/C14H22N2O2/c1-10(2)13(9-17)16-14(18)7-11-5-3-4-6-12(11)8-15/h3-6,10,13,17H,7-9,15H2,1-2H3,(H,16,18)/t13-/m1/s1
InChIKeyDQDMKTHIXHRYMJ-CYBMUJFWSA-N
MW250.34 g/mol
LogP0.82
Rot. Bonds6

About 2-[2-(aminomethyl)phenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide

2-[2-(aminomethyl)phenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide (PubChem CID 81322851) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
PubChem CID81322851
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[2-(aminomethyl)phenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@@H](CO)NC(=O)Cc1ccccc1CN
InChIInChI=1S/C14H22N2O2/c1-10(2)13(9-17)16-14(18)7-11-5-3-4-6-12(11)8-15/h3-6,10,13,17H,7-9,15H2,1-2H3,(H,16,18)/t13-/m1/s1
InChIKeyDQDMKTHIXHRYMJ-CYBMUJFWSA-N
XLogP0.82
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-3-methylbutan-2-yl)-2-naphthalen-1-ylacetamide
CID 79252551
2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]propanamide
CID 81318090
methyl 2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-3-methylbutanoate
CID 81321719
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyridin-2-ylacetamide
CID 79246224
2-[2-(aminomethyl)phenyl]-N-(2-hydroxy-1-phenylethyl)acetamide
CID 81312733
3-(2-aminophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 107273207
2-(4-aminophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79248650
2-[2-(aminomethyl)phenyl]-N-(1-phenylpropan-2-yl)acetamide
CID 81312625
4-[[2-[2-(aminomethyl)phenyl]acetyl]amino]pentanoic acid
CID 81322254
2-[2-(aminomethyl)phenyl]-N-[1-(2-methylphenyl)ethyl]acetamide
CID 81312311
2-[2-(aminomethyl)phenyl]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 81313304
5-[[2-[2-(aminomethyl)phenyl]acetyl]amino]hexanoic acid
CID 82845827

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide (CID 81322851) is 2-[2-(aminomethyl)phenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide is CC(C)[C@@H](CO)NC(=O)Cc1ccccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide?
The InChIKey is DQDMKTHIXHRYMJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)13(9-17)16-14(18)7-11-5-3-4-6-12(11)8-15/h3-6,10,13,17H,7-9,15H2,1-2H3,(H,16,18)/t13-/m1/s1.
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide?
2-[2-(aminomethyl)phenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide has a molecular weight of 250.34 g/mol, XLogP of 0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 81322851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).