1-[2-amino-5-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanone

C15H25N3O — CID 103187601

IUPAC1-[2-amino-5-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanone
SMILESCCN(c1ccc(N)c(C(C)=O)c1)C(C)CN(C)C
InChIInChI=1S/C15H25N3O/c1-6-18(11(2)10-17(4)5)13-7-8-15(16)14(9-13)12(3)19/h7-9,11H,6,10,16H2,1-5H3
InChIKeyIOYIEMOTWRQATK-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.25
Rot. Bonds6

About 1-[2-amino-5-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanone

1-[2-amino-5-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanone (PubChem CID 103187601) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-amino-5-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-5-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanone
PubChem CID103187601
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[2-amino-5-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanone
SMILESCCN(c1ccc(N)c(C(C)=O)c1)C(C)CN(C)C
InChIInChI=1S/C15H25N3O/c1-6-18(11(2)10-17(4)5)13-7-8-15(16)14(9-13)12(3)19/h7-9,11H,6,10,16H2,1-5H3
InChIKeyIOYIEMOTWRQATK-UHFFFAOYSA-N
XLogP2.25
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.25
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

1-[2-amino-5-[methyl(pentan-2-yl)amino]phenyl]ethanone
CID 104612387
4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-propan-2-yloxybenzene-1,4-diamine
CID 103187566
1-[2-amino-5-[ethyl(2-ethylbutyl)amino]phenyl]ethanone
CID 104612406
3-(3-acetyl-4-amino-N-ethylanilino)-2-methylpropanenitrile
CID 104612585
3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethylbenzene-1,3-diamine
CID 103187647
1-[2-amino-5-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanone
CID 113433012
1-[2-amino-5-[(4-ethylphenyl)methyl-methylamino]phenyl]ethanone
CID 104612404
2-N-[4-(bromomethyl)-3-chlorophenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 114064478
methyl 3-amino-4-[1-(dimethylamino)propan-2-yl-ethylamino]benzoate
CID 103190569
2-N-[4-(bromomethyl)-3-(trifluoromethyl)phenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 107085533
4-[1-(dimethylamino)propan-2-yl-ethylamino]benzaldehyde
CID 103189615
(E)-3-[4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylphenyl]prop-2-enoic acid
CID 103190096

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanone?
The IUPAC name of 1-[2-amino-5-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanone (CID 103187601) is 1-[2-amino-5-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-5-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanone?
The canonical SMILES for 1-[2-amino-5-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanone is CCN(c1ccc(N)c(C(C)=O)c1)C(C)CN(C)C.
What is the InChIKey of 1-[2-amino-5-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanone?
The InChIKey is IOYIEMOTWRQATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-6-18(11(2)10-17(4)5)13-7-8-15(16)14(9-13)12(3)19/h7-9,11H,6,10,16H2,1-5H3.
What are the key properties of 1-[2-amino-5-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanone?
1-[2-amino-5-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanone has a molecular weight of 263.38 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanone is sourced from PubChem (CID 103187601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).