2-(aminomethyl)-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide

C14H18F4N2O — CID 63036682

IUPAC2-(aminomethyl)-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide
SMILESCCC(CC)(CN)C(=O)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C14H18F4N2O/c1-3-13(4-2,8-19)12(21)20-11-7-9(14(16,17)18)5-6-10(11)15/h5-7H,3-4,8,19H2,1-2H3,(H,20,21)
InChIKeyCZZYNCJLTXPCBL-UHFFFAOYSA-N
MW306.30 g/mol
LogP3.55
Rot. Bonds5

About 2-(aminomethyl)-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide

2-(aminomethyl)-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide (PubChem CID 63036682) has the molecular formula C14H18F4N2O and a molecular weight of 306.30 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide
PubChem CID63036682
Molecular FormulaC14H18F4N2O
Molecular Weight306.30 g/mol
Exact Mass306.14
IUPAC Name2-(aminomethyl)-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide
SMILESCCC(CC)(CN)C(=O)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C14H18F4N2O/c1-3-13(4-2,8-19)12(21)20-11-7-9(14(16,17)18)5-6-10(11)15/h5-7H,3-4,8,19H2,1-2H3,(H,20,21)
InChIKeyCZZYNCJLTXPCBL-UHFFFAOYSA-N
XLogP3.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide
CID 79814613
3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-4-fluorobenzamide
CID 115431791
2-(aminomethyl)-2-ethyl-N-(2,4,5-trifluorophenyl)butanamide
CID 62815380
2,2,3,3-tetrafluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide
CID 103733506
5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 82010864
3-[2-fluoro-5-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 63049503
(2S)-2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119279745
N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)acetamide
CID 63035996
2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-4-chlorobenzoic acid
CID 115432260
N-(cyanomethyl)-N'-[2-fluoro-5-(trifluoromethyl)phenyl]oxamide
CID 63037708
2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 63037220
2-(tert-butylamino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide
CID 78953142

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 2-(aminomethyl)-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide (CID 63036682) is 2-(aminomethyl)-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide is CCC(CC)(CN)C(=O)Nc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide?
The InChIKey is CZZYNCJLTXPCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2O/c1-3-13(4-2,8-19)12(21)20-11-7-9(14(16,17)18)5-6-10(11)15/h5-7H,3-4,8,19H2,1-2H3,(H,20,21).
What are the key properties of 2-(aminomethyl)-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide?
2-(aminomethyl)-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide has a molecular weight of 306.30 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 63036682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).