N-(4-methoxybutyl)aniline

C11H17NO — CID 13042774

IUPACN-(4-methoxybutyl)aniline
SMILESCOCCCCNc1ccccc1
InChIInChI=1S/C11H17NO/c1-13-10-6-5-9-12-11-7-3-2-4-8-11/h2-4,7-8,12H,5-6,9-10H2,1H3
InChIKeyDADBWRSJFCLOGL-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.53
Rot. Bonds6

About N-(4-methoxybutyl)aniline

N-(4-methoxybutyl)aniline (PubChem CID 13042774) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-(4-methoxybutyl)aniline.

Molecular Properties

Compound NameN-(4-methoxybutyl)aniline
PubChem CID13042774
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-(4-methoxybutyl)aniline
SMILESCOCCCCNc1ccccc1
InChIInChI=1S/C11H17NO/c1-13-10-6-5-9-12-11-7-3-2-4-8-11/h2-4,7-8,12H,5-6,9-10H2,1H3
InChIKeyDADBWRSJFCLOGL-UHFFFAOYSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-N'-phenylethane-1,2-diamine
CID 54806182
4-(6-methoxyhexylamino)phenol
CID 162494970
N-(12-ethoxydodecyl)aniline
CID 54545171
4-(4-methoxybutylamino)benzoic acid
CID 62232205
N-(12-dodecoxydodecyl)aniline
CID 54486065
N-[4-(4-methylphenoxy)butyl]aniline
CID 82096490
N-[4-[3-anilinopropyl(dimethoxy)silyl]oxybutyl]aniline
CID 151955793
N-[4-(3-methoxypropylamino)phenyl]benzamide
CID 112981031
N,N'-diphenylpropane-1,3-diamine;hydrochloride
CID 68721632
N-nonadecylaniline
CID 54509054
4-methoxy-N-(3-methoxypropyl)aniline
CID 60925973
N-(4-methoxybutyl)-3-(trifluoromethoxy)aniline
CID 112701030

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutyl)aniline?
The IUPAC name of N-(4-methoxybutyl)aniline (CID 13042774) is N-(4-methoxybutyl)aniline.
What is the SMILES notation for N-(4-methoxybutyl)aniline?
The canonical SMILES for N-(4-methoxybutyl)aniline is COCCCCNc1ccccc1.
What is the InChIKey of N-(4-methoxybutyl)aniline?
The InChIKey is DADBWRSJFCLOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-13-10-6-5-9-12-11-7-3-2-4-8-11/h2-4,7-8,12H,5-6,9-10H2,1H3.
What are the key properties of N-(4-methoxybutyl)aniline?
N-(4-methoxybutyl)aniline has a molecular weight of 179.26 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)aniline is sourced from PubChem (CID 13042774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).