2,6-dichloro-N-(1,1-dimethoxypropan-2-yl)aniline

C11H15Cl2NO2 — CID 65468927

IUPAC2,6-dichloro-N-(1,1-dimethoxypropan-2-yl)aniline
SMILESCOC(OC)C(C)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C11H15Cl2NO2/c1-7(11(15-2)16-3)14-10-8(12)5-4-6-9(10)13/h4-7,11,14H,1-3H3
InChIKeyBLUBOHRVUSEMRK-UHFFFAOYSA-N
MW264.15 g/mol
LogP3.41
Rot. Bonds5

About 2,6-dichloro-N-(1,1-dimethoxypropan-2-yl)aniline

2,6-dichloro-N-(1,1-dimethoxypropan-2-yl)aniline (PubChem CID 65468927) has the molecular formula C11H15Cl2NO2 and a molecular weight of 264.15 g/mol. Its IUPAC name is 2,6-dichloro-N-(1,1-dimethoxypropan-2-yl)aniline.

Molecular Properties

Compound Name2,6-dichloro-N-(1,1-dimethoxypropan-2-yl)aniline
PubChem CID65468927
Molecular FormulaC11H15Cl2NO2
Molecular Weight264.15 g/mol
Exact Mass263.05
IUPAC Name2,6-dichloro-N-(1,1-dimethoxypropan-2-yl)aniline
SMILESCOC(OC)C(C)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C11H15Cl2NO2/c1-7(11(15-2)16-3)14-10-8(12)5-4-6-9(10)13/h4-7,11,14H,1-3H3
InChIKeyBLUBOHRVUSEMRK-UHFFFAOYSA-N
XLogP3.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-N-(1-phenylethyl)aniline
CID 65467797
2,6-dichloro-N-pentan-2-ylaniline
CID 65469888
2-chloro-4-(1,1-dimethoxypropan-2-ylamino)phenol
CID 107678609
2,6-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 65469347
2,6-dichloro-N-[1-(4-methylphenyl)ethyl]aniline
CID 65467192
2-chloro-N-(1-methoxypropan-2-yl)-6-methylaniline
CID 66251264
(2S)-2-(2,6-dichloroanilino)-3-methylbutanoic acid
CID 54414123
methyl 2-(2-amino-6-chloroanilino)propanoate
CID 61499348
2,6-dichloro-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 65468772
2,6-dichloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 65469512
2-(2,6-dichloroanilino)-N-propan-2-ylpropanamide
CID 65499751
2,6-dibromo-N-(3-methoxybutan-2-yl)aniline
CID 107597295

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(1,1-dimethoxypropan-2-yl)aniline?
The IUPAC name of 2,6-dichloro-N-(1,1-dimethoxypropan-2-yl)aniline (CID 65468927) is 2,6-dichloro-N-(1,1-dimethoxypropan-2-yl)aniline.
What is the SMILES notation for 2,6-dichloro-N-(1,1-dimethoxypropan-2-yl)aniline?
The canonical SMILES for 2,6-dichloro-N-(1,1-dimethoxypropan-2-yl)aniline is COC(OC)C(C)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(1,1-dimethoxypropan-2-yl)aniline?
The InChIKey is BLUBOHRVUSEMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2/c1-7(11(15-2)16-3)14-10-8(12)5-4-6-9(10)13/h4-7,11,14H,1-3H3.
What are the key properties of 2,6-dichloro-N-(1,1-dimethoxypropan-2-yl)aniline?
2,6-dichloro-N-(1,1-dimethoxypropan-2-yl)aniline has a molecular weight of 264.15 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(1,1-dimethoxypropan-2-yl)aniline is sourced from PubChem (CID 65468927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).