1-[2-amino-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanone

C15H22N2O2 — CID 104528515

IUPAC1-[2-amino-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)CC2CCCCO2)cc1N
InChIInChI=1S/C15H22N2O2/c1-11(18)14-7-6-12(9-15(14)16)17(2)10-13-5-3-4-8-19-13/h6-7,9,13H,3-5,8,10,16H2,1-2H3
InChIKeyGUCJXJYNWYFIJK-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.48
Rot. Bonds4

About 1-[2-amino-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanone

1-[2-amino-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanone (PubChem CID 104528515) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[2-amino-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanone
PubChem CID104528515
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[2-amino-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)CC2CCCCO2)cc1N
InChIInChI=1S/C15H22N2O2/c1-11(18)14-7-6-12(9-15(14)16)17(2)10-13-5-3-4-8-19-13/h6-7,9,13H,3-5,8,10,16H2,1-2H3
InChIKeyGUCJXJYNWYFIJK-UHFFFAOYSA-N
XLogP2.48
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-[methyl(oxan-2-ylmethyl)amino]benzenecarbothioamide
CID 107277466
2-methoxy-4-N-methyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine
CID 63672016
4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 43591832
4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002804
2-amino-4-[cyclohexylmethyl(methyl)amino]benzoic acid
CID 113419748
[5-[methyl(oxan-2-ylmethyl)amino]-2-nitrophenyl]-pyrrolidin-1-ylmethanone
CID 133271715
2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
CID 61431770
5-amino-3-chloro-2-[methyl(oxan-2-ylmethyl)amino]benzoic acid
CID 107194637
2-amino-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61430574
4-(ethylaminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 61432121
2-(1-aminoethyl)-5-[methyl(oxolan-2-ylmethyl)amino]phenol
CID 79603547
3-N,4-dimethyl-3-N-(oxan-2-ylmethyl)benzene-1,3-diamine
CID 55091165

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanone (CID 104528515) is 1-[2-amino-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanone is CC(=O)c1ccc(N(C)CC2CCCCO2)cc1N.
What is the InChIKey of 1-[2-amino-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanone?
The InChIKey is GUCJXJYNWYFIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(18)14-7-6-12(9-15(14)16)17(2)10-13-5-3-4-8-19-13/h6-7,9,13H,3-5,8,10,16H2,1-2H3.
What are the key properties of 1-[2-amino-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanone?
1-[2-amino-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanone has a molecular weight of 262.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanone is sourced from PubChem (CID 104528515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).