N-[3-(aminomethyl)phenyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide

C13H19F2N3O2 — CID 107478853

IUPACN-[3-(aminomethyl)phenyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
SMILESNCc1cccc(NC(=O)CN(CCO)CC(F)F)c1
InChIInChI=1S/C13H19F2N3O2/c14-12(15)8-18(4-5-19)9-13(20)17-11-3-1-2-10(6-11)7-16/h1-3,6,12,19H,4-5,7-9,16H2,(H,17,20)
InChIKeyDQAXFYKSLRMUPX-UHFFFAOYSA-N
MW287.31 g/mol
LogP0.64
Rot. Bonds8

About N-[3-(aminomethyl)phenyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide

N-[3-(aminomethyl)phenyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide (PubChem CID 107478853) has the molecular formula C13H19F2N3O2 and a molecular weight of 287.31 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
PubChem CID107478853
Molecular FormulaC13H19F2N3O2
Molecular Weight287.31 g/mol
Exact Mass287.14
IUPAC NameN-[3-(aminomethyl)phenyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
SMILESNCc1cccc(NC(=O)CN(CCO)CC(F)F)c1
InChIInChI=1S/C13H19F2N3O2/c14-12(15)8-18(4-5-19)9-13(20)17-11-3-1-2-10(6-11)7-16/h1-3,6,12,19H,4-5,7-9,16H2,(H,17,20)
InChIKeyDQAXFYKSLRMUPX-UHFFFAOYSA-N
XLogP0.64
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)phenyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 54879755
N-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide
CID 16779439
N-(3-amino-4-chlorophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
CID 107478590
N-[3-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide
CID 79477802
N-[3-(aminomethyl)phenyl]-2-[methyl(3-methylbutan-2-yl)amino]acetamide
CID 43569718
N-(2-amino-4-chlorophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
CID 107478609
N-[3-(aminomethyl)phenyl]-2-[butan-2-yl(ethyl)amino]acetamide
CID 43274235
N-[3-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]acetamide
CID 63694626
N-(3-ethylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 111423165
N-(3-acetylphenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 60686695
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 107485723
2-[benzyl(2-hydroxyethyl)amino]-N-(3-methylphenyl)acetamide
CID 78822615

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide (CID 107478853) is N-[3-(aminomethyl)phenyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide is NCc1cccc(NC(=O)CN(CCO)CC(F)F)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
The InChIKey is DQAXFYKSLRMUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O2/c14-12(15)8-18(4-5-19)9-13(20)17-11-3-1-2-10(6-11)7-16/h1-3,6,12,19H,4-5,7-9,16H2,(H,17,20).
What are the key properties of N-[3-(aminomethyl)phenyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
N-[3-(aminomethyl)phenyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide has a molecular weight of 287.31 g/mol, XLogP of 0.64, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide is sourced from PubChem (CID 107478853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).