1-(2,4-diaminophenyl)-3-methoxypropan-1-one

C10H14N2O2 — CID 141196079

IUPAC1-(2,4-diaminophenyl)-3-methoxypropan-1-one
SMILESCOCCC(=O)c1ccc(N)cc1N
InChIInChI=1S/C10H14N2O2/c1-14-5-4-10(13)8-3-2-7(11)6-9(8)12/h2-3,6H,4-5,11-12H2,1H3
InChIKeyRTCBMWQUTRCSTM-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.07
Rot. Bonds4

About 1-(2,4-diaminophenyl)-3-methoxypropan-1-one

1-(2,4-diaminophenyl)-3-methoxypropan-1-one (PubChem CID 141196079) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(2,4-diaminophenyl)-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-(2,4-diaminophenyl)-3-methoxypropan-1-one
PubChem CID141196079
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-(2,4-diaminophenyl)-3-methoxypropan-1-one
SMILESCOCCC(=O)c1ccc(N)cc1N
InChIInChI=1S/C10H14N2O2/c1-14-5-4-10(13)8-3-2-7(11)6-9(8)12/h2-3,6H,4-5,11-12H2,1H3
InChIKeyRTCBMWQUTRCSTM-UHFFFAOYSA-N
XLogP1.07
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-amino-4-(3-aminopropanoyl)benzoate
CID 129264159
3-methoxy-1-(2-methoxy-5-methylphenyl)propan-1-one
CID 62796966
1-[4-(2,4-diaminobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 61110043
methyl 3-amino-4-(3-chloropropanoyl)benzoate
CID 134648540
4-amino-2-[2-(2-methoxyethoxy)ethoxy]benzoic acid
CID 104564131
methyl 3-amino-4-(3-bromopropanoyl)benzoate
CID 134648523
ethyl 4-amino-2-(2-methoxyethoxy)benzoate
CID 106955360
3-chloropropyl 2,4-diaminobenzoate
CID 19862798
2-methoxyethyl 2-amino-4-bromobenzoate
CID 61303052
3-methoxy-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one
CID 82053835
4-amino-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzamide
CID 113467671
4-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoyl chloride
CID 102159784

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diaminophenyl)-3-methoxypropan-1-one?
The IUPAC name of 1-(2,4-diaminophenyl)-3-methoxypropan-1-one (CID 141196079) is 1-(2,4-diaminophenyl)-3-methoxypropan-1-one.
What is the SMILES notation for 1-(2,4-diaminophenyl)-3-methoxypropan-1-one?
The canonical SMILES for 1-(2,4-diaminophenyl)-3-methoxypropan-1-one is COCCC(=O)c1ccc(N)cc1N.
What is the InChIKey of 1-(2,4-diaminophenyl)-3-methoxypropan-1-one?
The InChIKey is RTCBMWQUTRCSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-14-5-4-10(13)8-3-2-7(11)6-9(8)12/h2-3,6H,4-5,11-12H2,1H3.
What are the key properties of 1-(2,4-diaminophenyl)-3-methoxypropan-1-one?
1-(2,4-diaminophenyl)-3-methoxypropan-1-one has a molecular weight of 194.23 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diaminophenyl)-3-methoxypropan-1-one is sourced from PubChem (CID 141196079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).