2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylpropanamide

C14H21FN2O2 — CID 65096529

IUPAC2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylpropanamide
SMILESCOc1ccc(CC(CN)C(=O)NC(C)C)cc1F
InChIInChI=1S/C14H21FN2O2/c1-9(2)17-14(18)11(8-16)6-10-4-5-13(19-3)12(15)7-10/h4-5,7,9,11H,6,8,16H2,1-3H3,(H,17,18)
InChIKeyPRTGQYHEMUSLEJ-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.48
Rot. Bonds6

About 2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylpropanamide

2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylpropanamide (PubChem CID 65096529) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylpropanamide
PubChem CID65096529
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylpropanamide
SMILESCOc1ccc(CC(CN)C(=O)NC(C)C)cc1F
InChIInChI=1S/C14H21FN2O2/c1-9(2)17-14(18)11(8-16)6-10-4-5-13(19-3)12(15)7-10/h4-5,7,9,11H,6,8,16H2,1-3H3,(H,17,18)
InChIKeyPRTGQYHEMUSLEJ-UHFFFAOYSA-N
XLogP1.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide
CID 124512316
2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N-propan-2-ylpropanamide
CID 62121929
tert-butyl 2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)propanoate
CID 103522391
2-(aminomethyl)-3-(3-methoxyphenyl)-N-propan-2-ylpropanamide
CID 62081174
2-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpentanoic acid
CID 61130269
2-(aminomethyl)-3-(2,5-difluorophenyl)-N-propan-2-ylpropanamide
CID 55034612
2-(aminomethyl)-3-(3-hydroxy-4-methoxyphenyl)-N-methylpropanamide
CID 62097179
2-(aminomethyl)-3-(3,4-dimethoxyphenyl)-N-propylpropanamide
CID 62095764
2-(3-fluoro-4-methoxyphenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 38196743
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 60905217
2-(aminomethyl)-N-tert-butyl-3-(4-methoxy-3-methylphenyl)propanamide
CID 62131885
1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
CID 62601628

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylpropanamide (CID 65096529) is 2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylpropanamide is COc1ccc(CC(CN)C(=O)NC(C)C)cc1F.
What is the InChIKey of 2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylpropanamide?
The InChIKey is PRTGQYHEMUSLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-9(2)17-14(18)11(8-16)6-10-4-5-13(19-3)12(15)7-10/h4-5,7,9,11H,6,8,16H2,1-3H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylpropanamide?
2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylpropanamide has a molecular weight of 268.33 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 65096529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).