4-butoxy-N-[2-(2-methoxyphenoxy)ethyl]aniline

C19H25NO3 — CID 54799245

IUPAC4-butoxy-N-[2-(2-methoxyphenoxy)ethyl]aniline
SMILESCCCCOc1ccc(NCCOc2ccccc2OC)cc1
InChIInChI=1S/C19H25NO3/c1-3-4-14-22-17-11-9-16(10-12-17)20-13-15-23-19-8-6-5-7-18(19)21-2/h5-12,20H,3-4,13-15H2,1-2H3
InChIKeyWSODKIYHJKZYNS-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.36
Rot. Bonds10

About 4-butoxy-N-[2-(2-methoxyphenoxy)ethyl]aniline

4-butoxy-N-[2-(2-methoxyphenoxy)ethyl]aniline (PubChem CID 54799245) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 4-butoxy-N-[2-(2-methoxyphenoxy)ethyl]aniline.

Molecular Properties

Compound Name4-butoxy-N-[2-(2-methoxyphenoxy)ethyl]aniline
PubChem CID54799245
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name4-butoxy-N-[2-(2-methoxyphenoxy)ethyl]aniline
SMILESCCCCOc1ccc(NCCOc2ccccc2OC)cc1
InChIInChI=1S/C19H25NO3/c1-3-4-14-22-17-11-9-16(10-12-17)20-13-15-23-19-8-6-5-7-18(19)21-2/h5-12,20H,3-4,13-15H2,1-2H3
InChIKeyWSODKIYHJKZYNS-UHFFFAOYSA-N
XLogP4.36
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-chlorophenoxy)ethyl]-4-propoxyaniline
CID 54798999
4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663
N-(2-phenoxyethyl)-4-propoxyaniline
CID 54799062
N'-(2-butoxyphenyl)-N-(4-hexoxyphenyl)ethane-1,2-diamine
CID 54808512
4-butoxy-N-butylaniline
CID 15112153
4-butoxy-N-[2-(4-tert-butylphenoxy)ethyl]aniline
CID 54799238
N-hexyl-4-(2-phenoxyethoxy)aniline
CID 54799916
N-[2-(2-methoxyphenoxy)ethyl]hexadecan-1-amine
CID 54796021
1-methoxy-2-(4-phenoxybutoxy)benzene
CID 2252132
1-methoxy-2-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 78767785
N-[2-(2-tert-butylphenoxy)ethyl]-4-(2-phenoxyethoxy)aniline
CID 54799862
3-butoxy-N-[2-(2-methylphenoxy)ethyl]aniline
CID 54800729

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-(2-methoxyphenoxy)ethyl]aniline?
The IUPAC name of 4-butoxy-N-[2-(2-methoxyphenoxy)ethyl]aniline (CID 54799245) is 4-butoxy-N-[2-(2-methoxyphenoxy)ethyl]aniline.
What is the SMILES notation for 4-butoxy-N-[2-(2-methoxyphenoxy)ethyl]aniline?
The canonical SMILES for 4-butoxy-N-[2-(2-methoxyphenoxy)ethyl]aniline is CCCCOc1ccc(NCCOc2ccccc2OC)cc1.
What is the InChIKey of 4-butoxy-N-[2-(2-methoxyphenoxy)ethyl]aniline?
The InChIKey is WSODKIYHJKZYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-3-4-14-22-17-11-9-16(10-12-17)20-13-15-23-19-8-6-5-7-18(19)21-2/h5-12,20H,3-4,13-15H2,1-2H3.
What are the key properties of 4-butoxy-N-[2-(2-methoxyphenoxy)ethyl]aniline?
4-butoxy-N-[2-(2-methoxyphenoxy)ethyl]aniline has a molecular weight of 315.41 g/mol, XLogP of 4.36, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-(2-methoxyphenoxy)ethyl]aniline is sourced from PubChem (CID 54799245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).