3-N-[2-(dimethylamino)ethyl]-1-N-(1-methoxypropan-2-yl)-3-N-methylbenzene-1,3-diamine

C15H27N3O — CID 173013272

IUPAC3-N-[2-(dimethylamino)ethyl]-1-N-(1-methoxypropan-2-yl)-3-N-methylbenzene-1,3-diamine
SMILESCOCC(C)Nc1cccc(N(C)CCN(C)C)c1
InChIInChI=1S/C15H27N3O/c1-13(12-19-5)16-14-7-6-8-15(11-14)18(4)10-9-17(2)3/h6-8,11,13,16H,9-10,12H2,1-5H3
InChIKeyUKTSJFIKJDBNAR-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.13
Rot. Bonds8

About 3-N-[2-(dimethylamino)ethyl]-1-N-(1-methoxypropan-2-yl)-3-N-methylbenzene-1,3-diamine

3-N-[2-(dimethylamino)ethyl]-1-N-(1-methoxypropan-2-yl)-3-N-methylbenzene-1,3-diamine (PubChem CID 173013272) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-N-[2-(dimethylamino)ethyl]-1-N-(1-methoxypropan-2-yl)-3-N-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[2-(dimethylamino)ethyl]-1-N-(1-methoxypropan-2-yl)-3-N-methylbenzene-1,3-diamine
PubChem CID173013272
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-N-[2-(dimethylamino)ethyl]-1-N-(1-methoxypropan-2-yl)-3-N-methylbenzene-1,3-diamine
SMILESCOCC(C)Nc1cccc(N(C)CCN(C)C)c1
InChIInChI=1S/C15H27N3O/c1-13(12-19-5)16-14-7-6-8-15(11-14)18(4)10-9-17(2)3/h6-8,11,13,16H,9-10,12H2,1-5H3
InChIKeyUKTSJFIKJDBNAR-UHFFFAOYSA-N
XLogP2.13
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methoxypropan-2-yl)-3-methylsulfanylaniline
CID 62534680
3-(methoxymethyl)-N-(1-methoxypropan-2-yl)aniline
CID 62534298
1-N-(1-methoxypropan-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 62534120
1-N,3-N-dimethyl-3-N-(4-methylpentyl)benzene-1,3-diamine
CID 117041155
2-fluoro-4-N-(1-methoxypropan-2-yl)-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 62536605
methyl 3-(1-methoxypropan-2-ylamino)benzoate
CID 62536226
3-(2-fluoroethoxy)-N-(1-methoxypropan-2-yl)aniline
CID 115695260
1-N-(1,1-dimethoxypropan-2-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 113297532
tert-butyl N-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]carbamate
CID 171547007
tert-butyl N-[[3-(1-methoxypropan-2-ylamino)phenyl]methyl]-N-methylcarbamate
CID 103936292
N-(1-methoxypropan-2-yl)-4-phenylaniline
CID 62536989
N-(1-ethoxypropan-2-yl)-3-(2-methoxyethoxy)aniline
CID 115918848

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(dimethylamino)ethyl]-1-N-(1-methoxypropan-2-yl)-3-N-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-[2-(dimethylamino)ethyl]-1-N-(1-methoxypropan-2-yl)-3-N-methylbenzene-1,3-diamine (CID 173013272) is 3-N-[2-(dimethylamino)ethyl]-1-N-(1-methoxypropan-2-yl)-3-N-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-[2-(dimethylamino)ethyl]-1-N-(1-methoxypropan-2-yl)-3-N-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-[2-(dimethylamino)ethyl]-1-N-(1-methoxypropan-2-yl)-3-N-methylbenzene-1,3-diamine is COCC(C)Nc1cccc(N(C)CCN(C)C)c1.
What is the InChIKey of 3-N-[2-(dimethylamino)ethyl]-1-N-(1-methoxypropan-2-yl)-3-N-methylbenzene-1,3-diamine?
The InChIKey is UKTSJFIKJDBNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-13(12-19-5)16-14-7-6-8-15(11-14)18(4)10-9-17(2)3/h6-8,11,13,16H,9-10,12H2,1-5H3.
What are the key properties of 3-N-[2-(dimethylamino)ethyl]-1-N-(1-methoxypropan-2-yl)-3-N-methylbenzene-1,3-diamine?
3-N-[2-(dimethylamino)ethyl]-1-N-(1-methoxypropan-2-yl)-3-N-methylbenzene-1,3-diamine has a molecular weight of 265.40 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(dimethylamino)ethyl]-1-N-(1-methoxypropan-2-yl)-3-N-methylbenzene-1,3-diamine is sourced from PubChem (CID 173013272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).