2,5-dichloro-N-(1-methoxypropan-2-yl)-4-methylaniline

C11H15Cl2NO — CID 104726031

IUPAC2,5-dichloro-N-(1-methoxypropan-2-yl)-4-methylaniline
SMILESCOCC(C)Nc1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-7-4-10(13)11(5-9(7)12)14-8(2)6-15-3/h4-5,8,14H,6H2,1-3H3
InChIKeyLTWQNXOEADZIHA-UHFFFAOYSA-N
MW248.15 g/mol
LogP3.75
Rot. Bonds4

About 2,5-dichloro-N-(1-methoxypropan-2-yl)-4-methylaniline

2,5-dichloro-N-(1-methoxypropan-2-yl)-4-methylaniline (PubChem CID 104726031) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 2,5-dichloro-N-(1-methoxypropan-2-yl)-4-methylaniline.

Molecular Properties

Compound Name2,5-dichloro-N-(1-methoxypropan-2-yl)-4-methylaniline
PubChem CID104726031
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name2,5-dichloro-N-(1-methoxypropan-2-yl)-4-methylaniline
SMILESCOCC(C)Nc1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-7-4-10(13)11(5-9(7)12)14-8(2)6-15-3/h4-5,8,14H,6H2,1-3H3
InChIKeyLTWQNXOEADZIHA-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine
CID 43115381
5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline
CID 62534108
2,5-dichloro-4-methyl-N-(3-methylpentan-2-yl)aniline
CID 104726239
5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline;hydrochloride
CID 126809410
3-(2,5-dichloro-4-methylanilino)butanoic acid
CID 104726951
2,5-dichloro-4-methyl-N-nonan-2-ylaniline
CID 104726304
2-chloro-N-(1-methoxypropan-2-yl)aniline
CID 62535626
2,5-dichloro-N-(2-methoxyethyl)-4-methylaniline
CID 104726849
4,5-dimethoxy-N-(1-methoxypropan-2-yl)-2-methylaniline
CID 55086474
4-chloro-3-(1-methoxypropan-2-ylamino)benzamide
CID 62536792
2-chloro-N-(1-methoxypropan-2-yl)-4-nitroaniline
CID 43078501
2-(2,5-dichloro-4-methylanilino)propanenitrile
CID 104726846

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1-methoxypropan-2-yl)-4-methylaniline?
The IUPAC name of 2,5-dichloro-N-(1-methoxypropan-2-yl)-4-methylaniline (CID 104726031) is 2,5-dichloro-N-(1-methoxypropan-2-yl)-4-methylaniline.
What is the SMILES notation for 2,5-dichloro-N-(1-methoxypropan-2-yl)-4-methylaniline?
The canonical SMILES for 2,5-dichloro-N-(1-methoxypropan-2-yl)-4-methylaniline is COCC(C)Nc1cc(Cl)c(C)cc1Cl.
What is the InChIKey of 2,5-dichloro-N-(1-methoxypropan-2-yl)-4-methylaniline?
The InChIKey is LTWQNXOEADZIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-7-4-10(13)11(5-9(7)12)14-8(2)6-15-3/h4-5,8,14H,6H2,1-3H3.
What are the key properties of 2,5-dichloro-N-(1-methoxypropan-2-yl)-4-methylaniline?
2,5-dichloro-N-(1-methoxypropan-2-yl)-4-methylaniline has a molecular weight of 248.15 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1-methoxypropan-2-yl)-4-methylaniline is sourced from PubChem (CID 104726031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).