2-(aminomethyl)-3-(2,5-difluorophenyl)-N-propan-2-ylpropanamide

C13H18F2N2O — CID 55034612

IUPAC2-(aminomethyl)-3-(2,5-difluorophenyl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(CN)Cc1cc(F)ccc1F
InChIInChI=1S/C13H18F2N2O/c1-8(2)17-13(18)10(7-16)5-9-6-11(14)3-4-12(9)15/h3-4,6,8,10H,5,7,16H2,1-2H3,(H,17,18)
InChIKeyXKWZYHPFDMBJIO-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.61
Rot. Bonds5

About 2-(aminomethyl)-3-(2,5-difluorophenyl)-N-propan-2-ylpropanamide

2-(aminomethyl)-3-(2,5-difluorophenyl)-N-propan-2-ylpropanamide (PubChem CID 55034612) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(2,5-difluorophenyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-(2,5-difluorophenyl)-N-propan-2-ylpropanamide
PubChem CID55034612
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-(aminomethyl)-3-(2,5-difluorophenyl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(CN)Cc1cc(F)ccc1F
InChIInChI=1S/C13H18F2N2O/c1-8(2)17-13(18)10(7-16)5-9-6-11(14)3-4-12(9)15/h3-4,6,8,10H,5,7,16H2,1-2H3,(H,17,18)
InChIKeyXKWZYHPFDMBJIO-UHFFFAOYSA-N
XLogP1.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N-propan-2-ylpropanamide
CID 62121929
2-(aminomethyl)-3-(2,4-dimethylphenyl)-N-propan-2-ylpropanamide
CID 62083291
2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylpropanamide
CID 65096529
(2S)-3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 94460708
3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 62505348
N-[(2S)-1-aminopropan-2-yl]-2-(2,5-difluorophenyl)acetamide;hydrochloride
CID 120507911
4-(2,5-difluorophenyl)-3-methylbutanoic acid
CID 58950420
4-amino-N-[(2,5-difluorophenyl)methyl]-2-methylbutanamide
CID 80545149
2-amino-N-[2-(2,5-difluorophenyl)ethyl]propanamide
CID 115152492
N-(1-amino-4-methylpentan-2-yl)-3-(2,5-difluorophenyl)propanamide;hydrochloride
CID 119587847
methyl 3-amino-4-(2,5-difluorophenyl)butanoate
CID 72978585
(2R)-2-N-[(2,5-difluorophenyl)methyl]propane-1,2-diamine
CID 104868144

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(2,5-difluorophenyl)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(aminomethyl)-3-(2,5-difluorophenyl)-N-propan-2-ylpropanamide (CID 55034612) is 2-(aminomethyl)-3-(2,5-difluorophenyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(aminomethyl)-3-(2,5-difluorophenyl)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(aminomethyl)-3-(2,5-difluorophenyl)-N-propan-2-ylpropanamide is CC(C)NC(=O)C(CN)Cc1cc(F)ccc1F.
What is the InChIKey of 2-(aminomethyl)-3-(2,5-difluorophenyl)-N-propan-2-ylpropanamide?
The InChIKey is XKWZYHPFDMBJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-8(2)17-13(18)10(7-16)5-9-6-11(14)3-4-12(9)15/h3-4,6,8,10H,5,7,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-3-(2,5-difluorophenyl)-N-propan-2-ylpropanamide?
2-(aminomethyl)-3-(2,5-difluorophenyl)-N-propan-2-ylpropanamide has a molecular weight of 256.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(2,5-difluorophenyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 55034612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).