[4-[2-(2-tert-butylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl]methanamine

C20H26ClNO3 — CID 22687256

IUPAC[4-[2-(2-tert-butylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl]methanamine
SMILESCOc1cc(CN)cc(Cl)c1OCCOc1ccccc1C(C)(C)C
InChIInChI=1S/C20H26ClNO3/c1-20(2,3)15-7-5-6-8-17(15)24-9-10-25-19-16(21)11-14(13-22)12-18(19)23-4/h5-8,11-12H,9-10,13,22H2,1-4H3
InChIKeyUCMNIJHBMMSDIM-UHFFFAOYSA-N
MW363.89 g/mol
LogP4.56
Rot. Bonds7

About [4-[2-(2-tert-butylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl]methanamine

[4-[2-(2-tert-butylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl]methanamine (PubChem CID 22687256) has the molecular formula C20H26ClNO3 and a molecular weight of 363.89 g/mol. Its IUPAC name is [4-[2-(2-tert-butylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[4-[2-(2-tert-butylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl]methanamine
PubChem CID22687256
Molecular FormulaC20H26ClNO3
Molecular Weight363.89 g/mol
Exact Mass363.16
IUPAC Name[4-[2-(2-tert-butylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl]methanamine
SMILESCOc1cc(CN)cc(Cl)c1OCCOc1ccccc1C(C)(C)C
InChIInChI=1S/C20H26ClNO3/c1-20(2,3)15-7-5-6-8-17(15)24-9-10-25-19-16(21)11-14(13-22)12-18(19)23-4/h5-8,11-12H,9-10,13,22H2,1-4H3
InChIKeyUCMNIJHBMMSDIM-UHFFFAOYSA-N
XLogP4.56
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 54.56
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

[3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-methoxyphenyl]methanamine
CID 20991995
[3-chloro-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20986388
2-[3-chloro-5-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 22683993
[3-chloro-4-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methoxyphenyl]methanamine
CID 20987890
[4-(2-butoxyethoxy)-3-chloro-5-methoxyphenyl]methanamine
CID 61483236
[3-chloro-5-methoxy-4-(3-methylsulfonylpropoxy)phenyl]methanamine
CID 63191093
2-[4-[2-(4-tert-butylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl]ethanamine
CID 20985649
[4-[2-(2-tert-butyl-6-methylphenoxy)ethoxy]-3-methoxyphenyl]methanamine
CID 20991673
(3-chloro-5-methoxy-4-pent-3-ynoxyphenyl)methanamine
CID 104804310
2-[3-chloro-4-[2-(2,3-dimethylphenoxy)ethoxy]-5-methoxyphenyl]ethanamine
CID 22684363
[2-[2-(2-tert-butylphenoxy)ethoxy]phenyl]methanamine
CID 20991684
[3-chloro-4-(3-ethylsulfanylpropoxy)-5-methoxyphenyl]methanamine
CID 113473251

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-tert-butylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl]methanamine?
The IUPAC name of [4-[2-(2-tert-butylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl]methanamine (CID 22687256) is [4-[2-(2-tert-butylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl]methanamine.
What is the SMILES notation for [4-[2-(2-tert-butylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl]methanamine?
The canonical SMILES for [4-[2-(2-tert-butylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl]methanamine is COc1cc(CN)cc(Cl)c1OCCOc1ccccc1C(C)(C)C.
What is the InChIKey of [4-[2-(2-tert-butylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl]methanamine?
The InChIKey is UCMNIJHBMMSDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClNO3/c1-20(2,3)15-7-5-6-8-17(15)24-9-10-25-19-16(21)11-14(13-22)12-18(19)23-4/h5-8,11-12H,9-10,13,22H2,1-4H3.
What are the key properties of [4-[2-(2-tert-butylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl]methanamine?
[4-[2-(2-tert-butylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl]methanamine has a molecular weight of 363.89 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-tert-butylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl]methanamine is sourced from PubChem (CID 22687256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).