2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N,3-dimethylbutanamide

C15H23FN2O — CID 115187558

IUPAC2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N,3-dimethylbutanamide
SMILESCc1cc(CN(C)C(=O)C(CN)C(C)C)ccc1F
InChIInChI=1S/C15H23FN2O/c1-10(2)13(8-17)15(19)18(4)9-12-5-6-14(16)11(3)7-12/h5-7,10,13H,8-9,17H2,1-4H3
InChIKeySFLXCGQJMMTIBF-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.32
Rot. Bonds5

About 2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N,3-dimethylbutanamide

2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N,3-dimethylbutanamide (PubChem CID 115187558) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N,3-dimethylbutanamide
PubChem CID115187558
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N,3-dimethylbutanamide
SMILESCc1cc(CN(C)C(=O)C(CN)C(C)C)ccc1F
InChIInChI=1S/C15H23FN2O/c1-10(2)13(8-17)15(19)18(4)9-12-5-6-14(16)11(3)7-12/h5-7,10,13H,8-9,17H2,1-4H3
InChIKeySFLXCGQJMMTIBF-UHFFFAOYSA-N
XLogP2.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N-methylbutanamide
CID 115187012
2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N,N-dimethylpropanamide
CID 62122108
N-(3-amino-2-methylpropyl)-3-(4-fluoro-3-methylphenyl)-N-methylpropanamide
CID 115272485
N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-hydroxy-N-methylpropanamide
CID 115141021
2-(aminomethyl)-N-(2,5-difluorophenyl)-N,3-dimethylbutanamide
CID 115187511
2-amino-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentanamide
CID 54869994
N-[(4-fluoro-3-methylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 115202640
methyl 2-[(4-fluoro-3-methylphenyl)methyl-methylamino]acetate
CID 115232926
2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N-propan-2-ylpropanamide
CID 62121929
3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 115153737
2-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]-3-methylbutanoic acid
CID 115250409
3-amino-2-hydroxy-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylpropanamide
CID 115180628

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N,3-dimethylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N,3-dimethylbutanamide (CID 115187558) is 2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N,3-dimethylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N,3-dimethylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N,3-dimethylbutanamide is Cc1cc(CN(C)C(=O)C(CN)C(C)C)ccc1F.
What is the InChIKey of 2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N,3-dimethylbutanamide?
The InChIKey is SFLXCGQJMMTIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-10(2)13(8-17)15(19)18(4)9-12-5-6-14(16)11(3)7-12/h5-7,10,13H,8-9,17H2,1-4H3.
What are the key properties of 2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N,3-dimethylbutanamide?
2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N,3-dimethylbutanamide has a molecular weight of 266.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 115187558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).