(2R)-2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide

C12H17FN2O2 — CID 124512316

IUPAC(2R)-2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide
SMILESCNC(=O)[C@@H](CN)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C12H17FN2O2/c1-15-12(16)9(7-14)5-8-3-4-11(17-2)10(13)6-8/h3-4,6,9H,5,7,14H2,1-2H3,(H,15,16)/t9-/m1/s1
InChIKeyWKXKTXYUTQFJTR-SECBINFHSA-N
MW240.28 g/mol
LogP0.70
Rot. Bonds5

About (2R)-2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide

(2R)-2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide (PubChem CID 124512316) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is (2R)-2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide
PubChem CID124512316
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name(2R)-2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide
SMILESCNC(=O)[C@@H](CN)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C12H17FN2O2/c1-15-12(16)9(7-14)5-8-3-4-11(17-2)10(13)6-8/h3-4,6,9H,5,7,14H2,1-2H3,(H,15,16)/t9-/m1/s1
InChIKeyWKXKTXYUTQFJTR-SECBINFHSA-N
XLogP0.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylpropanamide
CID 65096529
2-(aminomethyl)-3-(3-hydroxy-4-methoxyphenyl)-N-methylpropanamide
CID 62097179
tert-butyl 2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)propanoate
CID 103522391
2-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpentanoic acid
CID 61130269
2-(aminomethyl)-3-(3,4-dimethoxyphenyl)-N-propylpropanamide
CID 62095764
2-(aminomethyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
CID 62097345
2-(aminomethyl)-3-(2-methoxyphenyl)-N-methylpropanamide
CID 62096110
2-(aminomethyl)-N-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanamide
CID 55039758
2-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide
CID 110779959
2-amino-3-(3-chloro-4-methoxyphenyl)-N-methylpropanamide
CID 116850489
methyl 2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)propanoate
CID 62121590
2-(aminomethyl)-3-(4-methoxy-3-methylphenyl)propanoic acid
CID 62133714

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide?
The IUPAC name of (2R)-2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide (CID 124512316) is (2R)-2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for (2R)-2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide?
The canonical SMILES for (2R)-2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide is CNC(=O)[C@@H](CN)Cc1ccc(OC)c(F)c1.
What is the InChIKey of (2R)-2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide?
The InChIKey is WKXKTXYUTQFJTR-SECBINFHSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-15-12(16)9(7-14)5-8-3-4-11(17-2)10(13)6-8/h3-4,6,9H,5,7,14H2,1-2H3,(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide?
(2R)-2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide has a molecular weight of 240.28 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 124512316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).