3-chloro-4-(cyclobutylmethoxy)aniline

C11H14ClNO — CID 65459362

IUPAC3-chloro-4-(cyclobutylmethoxy)aniline
SMILESNc1ccc(OCC2CCC2)c(Cl)c1
InChIInChI=1S/C11H14ClNO/c12-10-6-9(13)4-5-11(10)14-7-8-2-1-3-8/h4-6,8H,1-3,7,13H2
InChIKeyATFBKLOZKDHVIB-UHFFFAOYSA-N
MW211.69 g/mol
LogP3.10
Rot. Bonds3

About 3-chloro-4-(cyclobutylmethoxy)aniline

3-chloro-4-(cyclobutylmethoxy)aniline (PubChem CID 65459362) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 3-chloro-4-(cyclobutylmethoxy)aniline.

Molecular Properties

Compound Name3-chloro-4-(cyclobutylmethoxy)aniline
PubChem CID65459362
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name3-chloro-4-(cyclobutylmethoxy)aniline
SMILESNc1ccc(OCC2CCC2)c(Cl)c1
InChIInChI=1S/C11H14ClNO/c12-10-6-9(13)4-5-11(10)14-7-8-2-1-3-8/h4-6,8H,1-3,7,13H2
InChIKeyATFBKLOZKDHVIB-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 53.10
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

3-chloro-4-(cyclopropylmethoxy)aniline
CID 19626993
[3-chloro-4-(cyclobutylmethoxy)phenyl]methanol
CID 65459443
4-(cycloheptylmethoxy)-3-iodoaniline
CID 114248007
3-chloro-4-(cyclobutylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 77067797
3-chloro-4-(cyclohexylmethoxy)benzonitrile
CID 60667232
3-(cyclohexylmethoxy)-4-methylaniline
CID 43520190
3-chloro-4-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
CID 102896125
4-(cyclohexylmethoxy)-3-(difluoromethyl)aniline
CID 63734479
N-[[3-chloro-4-(cyclobutylmethoxy)phenyl]methyl]propan-2-amine
CID 65459381
4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene
CID 130161233
2-[[3-chloro-4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidine
CID 117418728
3-chloro-4-[(3-methylcyclohexyl)methoxy]benzonitrile
CID 114197110

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(cyclobutylmethoxy)aniline?
The IUPAC name of 3-chloro-4-(cyclobutylmethoxy)aniline (CID 65459362) is 3-chloro-4-(cyclobutylmethoxy)aniline.
What is the SMILES notation for 3-chloro-4-(cyclobutylmethoxy)aniline?
The canonical SMILES for 3-chloro-4-(cyclobutylmethoxy)aniline is Nc1ccc(OCC2CCC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(cyclobutylmethoxy)aniline?
The InChIKey is ATFBKLOZKDHVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c12-10-6-9(13)4-5-11(10)14-7-8-2-1-3-8/h4-6,8H,1-3,7,13H2.
What are the key properties of 3-chloro-4-(cyclobutylmethoxy)aniline?
3-chloro-4-(cyclobutylmethoxy)aniline has a molecular weight of 211.69 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(cyclobutylmethoxy)aniline is sourced from PubChem (CID 65459362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).