2-(aminomethyl)-N-ethyl-3-(3-fluorophenyl)propanamide

C12H17FN2O — CID 62095432

IUPAC2-(aminomethyl)-N-ethyl-3-(3-fluorophenyl)propanamide
SMILESCCNC(=O)C(CN)Cc1cccc(F)c1
InChIInChI=1S/C12H17FN2O/c1-2-15-12(16)10(8-14)6-9-4-3-5-11(13)7-9/h3-5,7,10H,2,6,8,14H2,1H3,(H,15,16)
InChIKeyFUINQNPWQGREDO-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.08
Rot. Bonds5

About 2-(aminomethyl)-N-ethyl-3-(3-fluorophenyl)propanamide

2-(aminomethyl)-N-ethyl-3-(3-fluorophenyl)propanamide (PubChem CID 62095432) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethyl-3-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-ethyl-3-(3-fluorophenyl)propanamide
PubChem CID62095432
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-(aminomethyl)-N-ethyl-3-(3-fluorophenyl)propanamide
SMILESCCNC(=O)C(CN)Cc1cccc(F)c1
InChIInChI=1S/C12H17FN2O/c1-2-15-12(16)10(8-14)6-9-4-3-5-11(13)7-9/h3-5,7,10H,2,6,8,14H2,1H3,(H,15,16)
InChIKeyFUINQNPWQGREDO-UHFFFAOYSA-N
XLogP1.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-[3-(difluoromethyl)phenyl]-N-ethylpropanamide
CID 113328883
2-(aminomethyl)-3-(3-hydroxyphenyl)-N-propylpropanamide
CID 62081872
2-(aminomethyl)-3-(3,4-difluorophenyl)-N-propylpropanamide
CID 62081171
N-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylbutanamide
CID 119997569
2-amino-3-(3-fluorophenyl)-N',N'-dimethylpropanehydrazide
CID 116849968
2-[(2-aminoacetyl)amino]-3-(3-fluorophenyl)propanoic acid
CID 140933508
(2S)-2-(2-aminopropanoylamino)-3-(3-fluorophenyl)propanoic acid
CID 135362319
2-[[(2R)-2-aminopropanoyl]amino]-3-(3-fluorophenyl)propanoic acid
CID 155171201
2-amino-N-[(3-fluorophenyl)methyl]propanamide
CID 43123316
[(2R)-3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium
CID 7020806
(2S)-3-(3-fluorophenyl)-2-(methylamino)propanoic acid;sulfane
CID 158527905
(3R)-4-(3-fluorophenyl)-3-hydrazinylbutan-2-one
CID 139542071

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-ethyl-3-(3-fluorophenyl)propanamide?
The IUPAC name of 2-(aminomethyl)-N-ethyl-3-(3-fluorophenyl)propanamide (CID 62095432) is 2-(aminomethyl)-N-ethyl-3-(3-fluorophenyl)propanamide.
What is the SMILES notation for 2-(aminomethyl)-N-ethyl-3-(3-fluorophenyl)propanamide?
The canonical SMILES for 2-(aminomethyl)-N-ethyl-3-(3-fluorophenyl)propanamide is CCNC(=O)C(CN)Cc1cccc(F)c1.
What is the InChIKey of 2-(aminomethyl)-N-ethyl-3-(3-fluorophenyl)propanamide?
The InChIKey is FUINQNPWQGREDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-2-15-12(16)10(8-14)6-9-4-3-5-11(13)7-9/h3-5,7,10H,2,6,8,14H2,1H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-N-ethyl-3-(3-fluorophenyl)propanamide?
2-(aminomethyl)-N-ethyl-3-(3-fluorophenyl)propanamide has a molecular weight of 224.28 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-ethyl-3-(3-fluorophenyl)propanamide is sourced from PubChem (CID 62095432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).