2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide

C14H20ClFN2O — CID 65229679

IUPAC2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide
SMILESCCCC(CN)C(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H20ClFN2O/c1-3-5-10(8-17)14(19)18(2)9-11-12(15)6-4-7-13(11)16/h4,6-7,10H,3,5,8-9,17H2,1-2H3
InChIKeyCMDOFQLOJIQMQU-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.81
Rot. Bonds6

About 2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide

2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide (PubChem CID 65229679) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide
PubChem CID65229679
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC Name2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide
SMILESCCCC(CN)C(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H20ClFN2O/c1-3-5-10(8-17)14(19)18(2)9-11-12(15)6-4-7-13(11)16/h4,6-7,10H,3,5,8-9,17H2,1-2H3
InChIKeyCMDOFQLOJIQMQU-UHFFFAOYSA-N
XLogP2.81
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide
CID 93367493
2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide
CID 65230216
(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267721
(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 61165388
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
6-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylhexanamide
CID 54869007
3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide
CID 55104653
N-[1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 55330671
(2R)-N-[(2-chloro-6-fluorophenyl)methyl]-2-(ethylsulfonylamino)-N-methyl-4-methylsulfanylbutanamide
CID 95305607
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 43470580
4-N-[(2-chloro-6-fluorophenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 39910131
N-[(2-chloro-6-fluorophenyl)methyl]-5-hydroxy-N-methylpentanamide
CID 79199252

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide (CID 65229679) is 2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide is CCCC(CN)C(=O)N(C)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide?
The InChIKey is CMDOFQLOJIQMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O/c1-3-5-10(8-17)14(19)18(2)9-11-12(15)6-4-7-13(11)16/h4,6-7,10H,3,5,8-9,17H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide?
2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide has a molecular weight of 286.78 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide is sourced from PubChem (CID 65229679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).