N-[2-(4-methoxyphenoxy)ethyl]-3-propan-2-yloxyaniline

C18H23NO3 — CID 54802827

IUPACN-[2-(4-methoxyphenoxy)ethyl]-3-propan-2-yloxyaniline
SMILESCOc1ccc(OCCNc2cccc(OC(C)C)c2)cc1
InChIInChI=1S/C18H23NO3/c1-14(2)22-18-6-4-5-15(13-18)19-11-12-21-17-9-7-16(20-3)8-10-17/h4-10,13-14,19H,11-12H2,1-3H3
InChIKeyHWISJEYNMIBBBG-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.97
Rot. Bonds8

About N-[2-(4-methoxyphenoxy)ethyl]-3-propan-2-yloxyaniline

N-[2-(4-methoxyphenoxy)ethyl]-3-propan-2-yloxyaniline (PubChem CID 54802827) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-3-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-3-propan-2-yloxyaniline
PubChem CID54802827
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-3-propan-2-yloxyaniline
SMILESCOc1ccc(OCCNc2cccc(OC(C)C)c2)cc1
InChIInChI=1S/C18H23NO3/c1-14(2)22-18-6-4-5-15(13-18)19-11-12-21-17-9-7-16(20-3)8-10-17/h4-10,13-14,19H,11-12H2,1-3H3
InChIKeyHWISJEYNMIBBBG-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-3-propan-2-yloxyaniline
CID 54802913
3-(2-methoxyethoxy)-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 54803079
N-[2-(4-methoxyphenyl)ethyl]-3-propan-2-yloxyaniline
CID 54802782
N-[2-(3-methylphenoxy)ethyl]-3-propan-2-yloxyaniline
CID 54802915
N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-3-propan-2-yloxyaniline
CID 54802909
N-[2-(4-chloro-3-methylphenoxy)ethyl]-3-propan-2-yloxyaniline
CID 54802477
4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663
3-butan-2-yloxy-N-[2-(4-methylphenoxy)ethyl]aniline
CID 54802754
N-(3-hexoxyphenyl)-N'-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808523
N'-[3-(3-methylbutoxy)phenyl]-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808037
3-(3-methoxyanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031059
[3-[2-(4-methoxyphenoxy)ethylamino]phenyl]methanol
CID 110880288

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-3-propan-2-yloxyaniline?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-3-propan-2-yloxyaniline (CID 54802827) is N-[2-(4-methoxyphenoxy)ethyl]-3-propan-2-yloxyaniline.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-3-propan-2-yloxyaniline?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-3-propan-2-yloxyaniline is COc1ccc(OCCNc2cccc(OC(C)C)c2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-3-propan-2-yloxyaniline?
The InChIKey is HWISJEYNMIBBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-14(2)22-18-6-4-5-15(13-18)19-11-12-21-17-9-7-16(20-3)8-10-17/h4-10,13-14,19H,11-12H2,1-3H3.
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-3-propan-2-yloxyaniline?
N-[2-(4-methoxyphenoxy)ethyl]-3-propan-2-yloxyaniline has a molecular weight of 301.39 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-3-propan-2-yloxyaniline is sourced from PubChem (CID 54802827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).