[4-methoxy-2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine

C21H29NO3 — CID 20985841

IUPAC[4-methoxy-2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine
SMILESCCC(C)(C)c1ccc(OCCOc2cc(OC)ccc2CN)cc1
InChIInChI=1S/C21H29NO3/c1-5-21(2,3)17-7-10-18(11-8-17)24-12-13-25-20-14-19(23-4)9-6-16(20)15-22/h6-11,14H,5,12-13,15,22H2,1-4H3
InChIKeyVSTDCZOHMIXBIW-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.30
Rot. Bonds9

About [4-methoxy-2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine

[4-methoxy-2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine (PubChem CID 20985841) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is [4-methoxy-2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-methoxy-2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine
PubChem CID20985841
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name[4-methoxy-2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine
SMILESCCC(C)(C)c1ccc(OCCOc2cc(OC)ccc2CN)cc1
InChIInChI=1S/C21H29NO3/c1-5-21(2,3)17-7-10-18(11-8-17)24-12-13-25-20-14-19(23-4)9-6-16(20)15-22/h6-11,14H,5,12-13,15,22H2,1-4H3
InChIKeyVSTDCZOHMIXBIW-UHFFFAOYSA-N
XLogP4.30
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.30
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

[2-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanamine
CID 54958135
[4-methoxy-2-(3-phenoxypropoxy)phenyl]methanamine
CID 62936765
[4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine
CID 22684437
[2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-4-methoxyphenyl]methanamine
CID 20987975
2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethanamine
CID 28749749
[4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine
CID 22681321
(2-butoxy-4-propoxyphenyl)methanamine
CID 43472095
[2,4-di(docosoxy)phenyl]methanamine
CID 66652643
3-[2-(aminomethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide
CID 61269630
[4-methoxy-2-(4-phenylbutoxy)phenyl]methanamine
CID 114332989
[2-[(2-tert-butyl-1,3-dioxolan-2-yl)methoxy]-4-methoxyphenyl]methanamine
CID 118482018
2-(2-butoxy-4-methoxyphenyl)ethanamine
CID 20985365

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine?
The IUPAC name of [4-methoxy-2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine (CID 20985841) is [4-methoxy-2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine.
What is the SMILES notation for [4-methoxy-2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine?
The canonical SMILES for [4-methoxy-2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine is CCC(C)(C)c1ccc(OCCOc2cc(OC)ccc2CN)cc1.
What is the InChIKey of [4-methoxy-2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine?
The InChIKey is VSTDCZOHMIXBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3/c1-5-21(2,3)17-7-10-18(11-8-17)24-12-13-25-20-14-19(23-4)9-6-16(20)15-22/h6-11,14H,5,12-13,15,22H2,1-4H3.
What are the key properties of [4-methoxy-2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine?
[4-methoxy-2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine has a molecular weight of 343.47 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine is sourced from PubChem (CID 20985841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).