1-N-(1-methoxypropan-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine

C12H20N2O — CID 62534120

IUPAC1-N-(1-methoxypropan-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCOCC(C)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C12H20N2O/c1-10(9-15-4)13-11-5-7-12(8-6-11)14(2)3/h5-8,10,13H,9H2,1-4H3
InChIKeyVAQDSTKRFLFUSM-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.20
Rot. Bonds5

About 1-N-(1-methoxypropan-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine

1-N-(1-methoxypropan-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 62534120) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-N-(1-methoxypropan-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(1-methoxypropan-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID62534120
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-N-(1-methoxypropan-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCOCC(C)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C12H20N2O/c1-10(9-15-4)13-11-5-7-12(8-6-11)14(2)3/h5-8,10,13H,9H2,1-4H3
InChIKeyVAQDSTKRFLFUSM-UHFFFAOYSA-N
XLogP2.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-N-butan-2-yl-4-N,4-N-dimethylbenzene-1,4-diamine
CID 21430110
N-(1-methoxypropan-2-yl)-4-propan-2-yloxyaniline
CID 62535634
N-(1-methoxypropan-2-yl)-4-phenylaniline
CID 62536989
4-[4-(dimethylamino)anilino]pentan-1-ol
CID 115976111
1-[4-(1-methoxypropan-2-ylamino)phenyl]ethanone
CID 115576830
4-(dimethylamino)-N-(1-methoxypropan-2-yl)benzamide
CID 2904147
2-fluoro-4-N-(1-methoxypropan-2-yl)-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 62536605
4-butyl-N-(1-methoxypropan-2-yl)aniline
CID 62536026
N-(1-methoxypropan-2-yl)-4-nitroaniline
CID 23104376
4-ethylsulfonyl-N-(1-methoxypropan-2-yl)aniline
CID 43453355
4-N,4-N-dimethyl-1-N-octan-2-ylbenzene-1,4-diamine
CID 43616946
3-N-[2-(dimethylamino)ethyl]-1-N-(1-methoxypropan-2-yl)-3-N-methylbenzene-1,3-diamine
CID 173013272

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-methoxypropan-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-(1-methoxypropan-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine (CID 62534120) is 1-N-(1-methoxypropan-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(1-methoxypropan-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(1-methoxypropan-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine is COCC(C)Nc1ccc(N(C)C)cc1.
What is the InChIKey of 1-N-(1-methoxypropan-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is VAQDSTKRFLFUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10(9-15-4)13-11-5-7-12(8-6-11)14(2)3/h5-8,10,13H,9H2,1-4H3.
What are the key properties of 1-N-(1-methoxypropan-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine?
1-N-(1-methoxypropan-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 208.31 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-methoxypropan-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 62534120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).