N-(4-methoxyphenoxy)-4-(3-methylbutoxy)aniline

C18H23NO3 — CID 143182221

IUPACN-(4-methoxyphenoxy)-4-(3-methylbutoxy)aniline
SMILESCOc1ccc(ONc2ccc(OCCC(C)C)cc2)cc1
InChIInChI=1S/C18H23NO3/c1-14(2)12-13-21-17-6-4-15(5-7-17)19-22-18-10-8-16(20-3)9-11-18/h4-11,14,19H,12-13H2,1-3H3
InChIKeyCDCWBAYBSWWLLU-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.53
Rot. Bonds8

About N-(4-methoxyphenoxy)-4-(3-methylbutoxy)aniline

N-(4-methoxyphenoxy)-4-(3-methylbutoxy)aniline (PubChem CID 143182221) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(4-methoxyphenoxy)-4-(3-methylbutoxy)aniline.

Molecular Properties

Compound NameN-(4-methoxyphenoxy)-4-(3-methylbutoxy)aniline
PubChem CID143182221
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC NameN-(4-methoxyphenoxy)-4-(3-methylbutoxy)aniline
SMILESCOc1ccc(ONc2ccc(OCCC(C)C)cc2)cc1
InChIInChI=1S/C18H23NO3/c1-14(2)12-13-21-17-6-4-15(5-7-17)19-22-18-10-8-16(20-3)9-11-18/h4-11,14,19H,12-13H2,1-3H3
InChIKeyCDCWBAYBSWWLLU-UHFFFAOYSA-N
XLogP4.53
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 4949852
methyl 3-[4-(3-methylbutoxy)anilino]-3-oxopropanoate
CID 28638022
N-(5-methylhexan-2-yl)-4-[4-[4-(5-methylhexan-2-ylamino)phenoxy]butoxy]aniline
CID 70605379
N-[2-(4-methoxyphenoxy)ethyl]-7-methyloctan-1-amine
CID 103604960
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 6390033
1-ethyl-4-(3-methylbutoxy)benzene
CID 60722998
N-[2-(4-methoxyphenoxy)propyl]-3-(3-methylbutoxy)aniline
CID 54800565
N-[[4-(3-methylbutoxy)phenyl]methyl]-4-propan-2-yloxyaniline
CID 54799891
1-(bromomethyl)-4-methoxy-2-(3-methylbutoxy)benzene
CID 61269278
N-(4-methoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 4943415
methyl-[4-(3-methylbutoxy)phenyl]iodanium
CID 168795737
1-(3-methylbutoxy)-4-phenylbenzene
CID 91725732

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenoxy)-4-(3-methylbutoxy)aniline?
The IUPAC name of N-(4-methoxyphenoxy)-4-(3-methylbutoxy)aniline (CID 143182221) is N-(4-methoxyphenoxy)-4-(3-methylbutoxy)aniline.
What is the SMILES notation for N-(4-methoxyphenoxy)-4-(3-methylbutoxy)aniline?
The canonical SMILES for N-(4-methoxyphenoxy)-4-(3-methylbutoxy)aniline is COc1ccc(ONc2ccc(OCCC(C)C)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenoxy)-4-(3-methylbutoxy)aniline?
The InChIKey is CDCWBAYBSWWLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-14(2)12-13-21-17-6-4-15(5-7-17)19-22-18-10-8-16(20-3)9-11-18/h4-11,14,19H,12-13H2,1-3H3.
What are the key properties of N-(4-methoxyphenoxy)-4-(3-methylbutoxy)aniline?
N-(4-methoxyphenoxy)-4-(3-methylbutoxy)aniline has a molecular weight of 301.39 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenoxy)-4-(3-methylbutoxy)aniline is sourced from PubChem (CID 143182221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).