2-(aminomethyl)-N-cyclopropyl-3-(2,3-difluorophenyl)propanamide

C13H16F2N2O — CID 63667369

IUPAC2-(aminomethyl)-N-cyclopropyl-3-(2,3-difluorophenyl)propanamide
SMILESNCC(Cc1cccc(F)c1F)C(=O)NC1CC1
InChIInChI=1S/C13H16F2N2O/c14-11-3-1-2-8(12(11)15)6-9(7-16)13(18)17-10-4-5-10/h1-3,9-10H,4-7,16H2,(H,17,18)
InChIKeyAREXGCQWCNHAHN-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.36
Rot. Bonds5

About 2-(aminomethyl)-N-cyclopropyl-3-(2,3-difluorophenyl)propanamide

2-(aminomethyl)-N-cyclopropyl-3-(2,3-difluorophenyl)propanamide (PubChem CID 63667369) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclopropyl-3-(2,3-difluorophenyl)propanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclopropyl-3-(2,3-difluorophenyl)propanamide
PubChem CID63667369
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name2-(aminomethyl)-N-cyclopropyl-3-(2,3-difluorophenyl)propanamide
SMILESNCC(Cc1cccc(F)c1F)C(=O)NC1CC1
InChIInChI=1S/C13H16F2N2O/c14-11-3-1-2-8(12(11)15)6-9(7-16)13(18)17-10-4-5-10/h1-3,9-10H,4-7,16H2,(H,17,18)
InChIKeyAREXGCQWCNHAHN-UHFFFAOYSA-N
XLogP1.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(aminomethyl)-3-(2,3-difluorophenyl)propanoate
CID 63669742
2-(aminomethyl)-N-cyclopropyl-3-[3-(difluoromethyl)phenyl]propanamide
CID 113328886
4-amino-2-[(2,3-difluorophenyl)methyl]butanoic acid
CID 104680993
N-(2-amino-1-cyclopropylethyl)-2-(2,3-difluorophenyl)acetamide;hydrochloride
CID 119616566
N-cyclopropyl-2,3-difluorobenzamide
CID 62648987
2-(aminomethyl)-3-(2,3-difluorophenyl)propan-1-ol
CID 63215682
3-(2,3-difluorophenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119386108
4-[(2,3-difluorophenyl)methylamino]cyclohexane-1-carboxamide
CID 55149645
(2R)-2-(aminomethyl)-3-(2-fluorophenyl)propanoic acid
CID 42329482
N-[4-(2,3-difluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81015413
methyl 2-chloro-3-(2,3-difluorophenyl)propanoate
CID 83195193
N-(4-aminocyclohexyl)-2-(2-fluorophenyl)acetamide
CID 43653105

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclopropyl-3-(2,3-difluorophenyl)propanamide?
The IUPAC name of 2-(aminomethyl)-N-cyclopropyl-3-(2,3-difluorophenyl)propanamide (CID 63667369) is 2-(aminomethyl)-N-cyclopropyl-3-(2,3-difluorophenyl)propanamide.
What is the SMILES notation for 2-(aminomethyl)-N-cyclopropyl-3-(2,3-difluorophenyl)propanamide?
The canonical SMILES for 2-(aminomethyl)-N-cyclopropyl-3-(2,3-difluorophenyl)propanamide is NCC(Cc1cccc(F)c1F)C(=O)NC1CC1.
What is the InChIKey of 2-(aminomethyl)-N-cyclopropyl-3-(2,3-difluorophenyl)propanamide?
The InChIKey is AREXGCQWCNHAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c14-11-3-1-2-8(12(11)15)6-9(7-16)13(18)17-10-4-5-10/h1-3,9-10H,4-7,16H2,(H,17,18).
What are the key properties of 2-(aminomethyl)-N-cyclopropyl-3-(2,3-difluorophenyl)propanamide?
2-(aminomethyl)-N-cyclopropyl-3-(2,3-difluorophenyl)propanamide has a molecular weight of 254.28 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-cyclopropyl-3-(2,3-difluorophenyl)propanamide is sourced from PubChem (CID 63667369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).