4-butoxy-2-chloro-5-methylaniline

C11H16ClNO — CID 115555294

IUPAC4-butoxy-2-chloro-5-methylaniline
SMILESCCCCOc1cc(Cl)c(N)cc1C
InChIInChI=1S/C11H16ClNO/c1-3-4-5-14-11-7-9(12)10(13)6-8(11)2/h6-7H,3-5,13H2,1-2H3
InChIKeyFWHOMRPLNKOVGJ-UHFFFAOYSA-N
MW213.71 g/mol
LogP3.41
Rot. Bonds4

About 4-butoxy-2-chloro-5-methylaniline

4-butoxy-2-chloro-5-methylaniline (PubChem CID 115555294) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 4-butoxy-2-chloro-5-methylaniline.

Molecular Properties

Compound Name4-butoxy-2-chloro-5-methylaniline
PubChem CID115555294
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name4-butoxy-2-chloro-5-methylaniline
SMILESCCCCOc1cc(Cl)c(N)cc1C
InChIInChI=1S/C11H16ClNO/c1-3-4-5-14-11-7-9(12)10(13)6-8(11)2/h6-7H,3-5,13H2,1-2H3
InChIKeyFWHOMRPLNKOVGJ-UHFFFAOYSA-N
XLogP3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-dibutoxy-2,5-dimethylbenzene
CID 20612934
2-chloro-5-methyl-4-(2-phenoxyethoxy)aniline
CID 115555244
2-chloro-5-methyl-4-(3-pyridin-4-ylpropoxy)aniline
CID 115555280
1-butoxy-4-methoxy-2,5-dimethylbenzene
CID 58371109
1,4-diheptoxy-2,5-dimethylbenzene
CID 59184182
4-butoxy-5-chloro-2-methoxyaniline
CID 131848144
2-butoxy-3,5-dichloropyridin-4-amine
CID 21388649
4-(4-methoxybutoxy)-2,5-dimethylaniline
CID 104646777
3-(5-chloro-2,4-dimethylphenoxy)propan-1-ol
CID 145226123
2-chloro-4-(4-fluorophenoxy)-5-methylaniline
CID 115555224
2-chloro-4,5-dimethylaniline
CID 53416768
4-(4-amino-5-chloro-2-methylphenoxy)benzonitrile
CID 113334432

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-2-chloro-5-methylaniline?
The IUPAC name of 4-butoxy-2-chloro-5-methylaniline (CID 115555294) is 4-butoxy-2-chloro-5-methylaniline.
What is the SMILES notation for 4-butoxy-2-chloro-5-methylaniline?
The canonical SMILES for 4-butoxy-2-chloro-5-methylaniline is CCCCOc1cc(Cl)c(N)cc1C.
What is the InChIKey of 4-butoxy-2-chloro-5-methylaniline?
The InChIKey is FWHOMRPLNKOVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-3-4-5-14-11-7-9(12)10(13)6-8(11)2/h6-7H,3-5,13H2,1-2H3.
What are the key properties of 4-butoxy-2-chloro-5-methylaniline?
4-butoxy-2-chloro-5-methylaniline has a molecular weight of 213.71 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-2-chloro-5-methylaniline is sourced from PubChem (CID 115555294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).