3-chloro-2,5-dimethyl-6-propan-2-yloxyaniline

C11H16ClNO — CID 82266805

IUPAC3-chloro-2,5-dimethyl-6-propan-2-yloxyaniline
SMILESCc1cc(Cl)c(C)c(N)c1OC(C)C
InChIInChI=1S/C11H16ClNO/c1-6(2)14-11-7(3)5-9(12)8(4)10(11)13/h5-6H,13H2,1-4H3
InChIKeyFGKFLUSAPUORPK-UHFFFAOYSA-N
MW213.71 g/mol
LogP3.33
Rot. Bonds2

About 3-chloro-2,5-dimethyl-6-propan-2-yloxyaniline

3-chloro-2,5-dimethyl-6-propan-2-yloxyaniline (PubChem CID 82266805) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 3-chloro-2,5-dimethyl-6-propan-2-yloxyaniline.

Molecular Properties

Compound Name3-chloro-2,5-dimethyl-6-propan-2-yloxyaniline
PubChem CID82266805
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name3-chloro-2,5-dimethyl-6-propan-2-yloxyaniline
SMILESCc1cc(Cl)c(C)c(N)c1OC(C)C
InChIInChI=1S/C11H16ClNO/c1-6(2)14-11-7(3)5-9(12)8(4)10(11)13/h5-6H,13H2,1-4H3
InChIKeyFGKFLUSAPUORPK-UHFFFAOYSA-N
XLogP3.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)ethanamine
CID 82266808
1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)propan-1-amine
CID 82266811
2-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)acetic acid
CID 82266792
1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)butan-1-one
CID 82266800
2,4-dichloro-6-fluoro-3-propan-2-yloxyaniline
CID 86152824
ethane;1,3,5-trimethyl-2-propan-2-yloxybenzene
CID 142216481
5,7-dimethyl-4-propan-2-yloxy-1,3-benzothiazol-2-amine
CID 82549825
2-amino-2-(5-chloro-3-methyl-2-propan-2-yloxyphenyl)ethanol
CID 83899736
2,3-difluoro-1,5-dimethyl-4-propan-2-yloxybenzene
CID 143612370
1,3-dimethyl-2-propan-2-yloxy-5-propan-2-ylsulfanylbenzene
CID 171366141
2,5-dichloro-4-propan-2-yloxyaniline
CID 84819900
2-amino-6-chloro-3,4-dimethylphenol
CID 45120159

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,5-dimethyl-6-propan-2-yloxyaniline?
The IUPAC name of 3-chloro-2,5-dimethyl-6-propan-2-yloxyaniline (CID 82266805) is 3-chloro-2,5-dimethyl-6-propan-2-yloxyaniline.
What is the SMILES notation for 3-chloro-2,5-dimethyl-6-propan-2-yloxyaniline?
The canonical SMILES for 3-chloro-2,5-dimethyl-6-propan-2-yloxyaniline is Cc1cc(Cl)c(C)c(N)c1OC(C)C.
What is the InChIKey of 3-chloro-2,5-dimethyl-6-propan-2-yloxyaniline?
The InChIKey is FGKFLUSAPUORPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-6(2)14-11-7(3)5-9(12)8(4)10(11)13/h5-6H,13H2,1-4H3.
What are the key properties of 3-chloro-2,5-dimethyl-6-propan-2-yloxyaniline?
3-chloro-2,5-dimethyl-6-propan-2-yloxyaniline has a molecular weight of 213.71 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,5-dimethyl-6-propan-2-yloxyaniline is sourced from PubChem (CID 82266805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).