N-(1-propoxyethyl)aniline

C11H17NO — CID 173276827

IUPACN-(1-propoxyethyl)aniline
SMILESCCCOC(C)Nc1ccccc1
InChIInChI=1S/C11H17NO/c1-3-9-13-10(2)12-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3
InChIKeyOWTGGAHNXLJHNW-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.87
Rot. Bonds5

About N-(1-propoxyethyl)aniline

N-(1-propoxyethyl)aniline (PubChem CID 173276827) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-(1-propoxyethyl)aniline.

Molecular Properties

Compound NameN-(1-propoxyethyl)aniline
PubChem CID173276827
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-(1-propoxyethyl)aniline
SMILESCCCOC(C)Nc1ccccc1
InChIInChI=1S/C11H17NO/c1-3-9-13-10(2)12-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3
InChIKeyOWTGGAHNXLJHNW-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-propoxypropyl)aniline
CID 62585259
N-(1-phenoxyethyl)aniline
CID 21395897
anilino(butoxy)methanol
CID 177495288
N-[1-(1-methoxyethoxy)ethyl]aniline
CID 89281099
[(1R,2R)-2-phenyl-1,2-dipropoxyethyl]benzene
CID 10983775
N-[dipropoxyphosphoryl(phenyl)methyl]aniline
CID 23413513
methyl-phenyl-dipropoxyphosphanium
CID 69053143
N-propoxyaniline;hydrochloride
CID 158876543
1-propoxyethoxymethylbenzene
CID 141304441
N-[(1S,2R)-2-methyl-1-phenylbutyl]aniline
CID 10837600
1-N-phenyl-1-N',1-N'-dipropylethane-1,1-diamine
CID 23460299
N-[(2R,3R)-3-methylheptan-2-yl]aniline
CID 10646032

Frequently Asked Questions

What is the IUPAC name of N-(1-propoxyethyl)aniline?
The IUPAC name of N-(1-propoxyethyl)aniline (CID 173276827) is N-(1-propoxyethyl)aniline.
What is the SMILES notation for N-(1-propoxyethyl)aniline?
The canonical SMILES for N-(1-propoxyethyl)aniline is CCCOC(C)Nc1ccccc1.
What is the InChIKey of N-(1-propoxyethyl)aniline?
The InChIKey is OWTGGAHNXLJHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-9-13-10(2)12-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3.
What are the key properties of N-(1-propoxyethyl)aniline?
N-(1-propoxyethyl)aniline has a molecular weight of 179.26 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propoxyethyl)aniline is sourced from PubChem (CID 173276827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).