N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,4-difluorophenyl)-N-methylacetamide

C14H18F2N2O — CID 115272670

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,4-difluorophenyl)-N-methylacetamide
SMILESCN(CC1(CN)CC1)C(=O)Cc1ccc(F)cc1F
InChIInChI=1S/C14H18F2N2O/c1-18(9-14(8-17)4-5-14)13(19)6-10-2-3-11(15)7-12(10)16/h2-3,7H,4-6,8-9,17H2,1H3
InChIKeyFTDMZWIJZJYEJG-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.70
Rot. Bonds5

About N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,4-difluorophenyl)-N-methylacetamide

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,4-difluorophenyl)-N-methylacetamide (PubChem CID 115272670) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,4-difluorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,4-difluorophenyl)-N-methylacetamide
PubChem CID115272670
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,4-difluorophenyl)-N-methylacetamide
SMILESCN(CC1(CN)CC1)C(=O)Cc1ccc(F)cc1F
InChIInChI=1S/C14H18F2N2O/c1-18(9-14(8-17)4-5-14)13(19)6-10-2-3-11(15)7-12(10)16/h2-3,7H,4-6,8-9,17H2,1H3
InChIKeyFTDMZWIJZJYEJG-UHFFFAOYSA-N
XLogP1.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-bromo-2-fluorophenyl)-N-methylacetamide
CID 115272674
2-[1-(aminomethyl)cyclobutyl]-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide
CID 81172216
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)-N-methylpropanamide
CID 115272705
N-[[1-(aminomethyl)cyclopropyl]methyl]-5-fluoro-2-methoxy-N-methylbenzamide
CID 115272625
N-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 134046604
(2R)-3-[[2-(2,4-difluorophenyl)acetyl]-methylamino]-2-methylpropanoic acid
CID 124517356
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(5-methylfuran-2-yl)acetamide
CID 115272681
2-(2,4-difluorophenyl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanone
CID 79062774
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-2-pyridin-4-ylacetamide
CID 115272202
N-(2-aminoethyl)-N-cyclobutyl-2-(2,4-difluorophenyl)acetamide
CID 102874077
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 115245867
2-(2,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119454848

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,4-difluorophenyl)-N-methylacetamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,4-difluorophenyl)-N-methylacetamide (CID 115272670) is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,4-difluorophenyl)-N-methylacetamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,4-difluorophenyl)-N-methylacetamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,4-difluorophenyl)-N-methylacetamide is CN(CC1(CN)CC1)C(=O)Cc1ccc(F)cc1F.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,4-difluorophenyl)-N-methylacetamide?
The InChIKey is FTDMZWIJZJYEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-18(9-14(8-17)4-5-14)13(19)6-10-2-3-11(15)7-12(10)16/h2-3,7H,4-6,8-9,17H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,4-difluorophenyl)-N-methylacetamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,4-difluorophenyl)-N-methylacetamide has a molecular weight of 268.31 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,4-difluorophenyl)-N-methylacetamide is sourced from PubChem (CID 115272670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).