4-chloro-3-methoxy-N-(3-methylbutan-2-yl)aniline

C12H18ClNO — CID 107270569

IUPAC4-chloro-3-methoxy-N-(3-methylbutan-2-yl)aniline
SMILESCOc1cc(NC(C)C(C)C)ccc1Cl
InChIInChI=1S/C12H18ClNO/c1-8(2)9(3)14-10-5-6-11(13)12(7-10)15-4/h5-9,14H,1-4H3
InChIKeyHFLDPSLNMVTJSX-UHFFFAOYSA-N
MW227.73 g/mol
LogP3.81
Rot. Bonds4

About 4-chloro-3-methoxy-N-(3-methylbutan-2-yl)aniline

4-chloro-3-methoxy-N-(3-methylbutan-2-yl)aniline (PubChem CID 107270569) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 4-chloro-3-methoxy-N-(3-methylbutan-2-yl)aniline.

Molecular Properties

Compound Name4-chloro-3-methoxy-N-(3-methylbutan-2-yl)aniline
PubChem CID107270569
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name4-chloro-3-methoxy-N-(3-methylbutan-2-yl)aniline
SMILESCOc1cc(NC(C)C(C)C)ccc1Cl
InChIInChI=1S/C12H18ClNO/c1-8(2)9(3)14-10-5-6-11(13)12(7-10)15-4/h5-9,14H,1-4H3
InChIKeyHFLDPSLNMVTJSX-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-methoxy-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 107621215
4-chloro-3-methoxy-N-(1-phenylethyl)aniline
CID 107266476
2-methoxy-5-(3-methylbutan-2-ylamino)phenol
CID 43743784
4-chloro-2,5-dimethoxy-N-(3-methylbutan-2-yl)aniline
CID 43192175
4-chloro-N-hex-5-en-2-yl-3-methoxyaniline
CID 107270538
N-[1-(5-bromothiophen-2-yl)ethyl]-4-chloro-3-methoxyaniline
CID 107621272
N-[1-(3-bromophenyl)ethyl]-4-chloro-3-methoxyaniline
CID 107621052
4-chloro-N-(dithiophen-2-ylmethyl)-3-methoxyaniline
CID 107621004
2-chloro-4,5-dimethoxy-N-(3-methylbutan-2-yl)aniline
CID 43712475
4-chloro-3-methoxy-N-[1-(4-propylphenyl)ethyl]aniline
CID 107621050
4-chloro-N-[1-(2-ethoxyphenyl)ethyl]-3-methoxyaniline
CID 107620944
2-chloro-N-(4-chloro-3-methoxyphenyl)propanamide
CID 107621348

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methoxy-N-(3-methylbutan-2-yl)aniline?
The IUPAC name of 4-chloro-3-methoxy-N-(3-methylbutan-2-yl)aniline (CID 107270569) is 4-chloro-3-methoxy-N-(3-methylbutan-2-yl)aniline.
What is the SMILES notation for 4-chloro-3-methoxy-N-(3-methylbutan-2-yl)aniline?
The canonical SMILES for 4-chloro-3-methoxy-N-(3-methylbutan-2-yl)aniline is COc1cc(NC(C)C(C)C)ccc1Cl.
What is the InChIKey of 4-chloro-3-methoxy-N-(3-methylbutan-2-yl)aniline?
The InChIKey is HFLDPSLNMVTJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-8(2)9(3)14-10-5-6-11(13)12(7-10)15-4/h5-9,14H,1-4H3.
What are the key properties of 4-chloro-3-methoxy-N-(3-methylbutan-2-yl)aniline?
4-chloro-3-methoxy-N-(3-methylbutan-2-yl)aniline has a molecular weight of 227.73 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methoxy-N-(3-methylbutan-2-yl)aniline is sourced from PubChem (CID 107270569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).