[2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-4-methoxyphenyl]methanamine

C22H31NO3 — CID 20987975

IUPAC[2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-4-methoxyphenyl]methanamine
SMILESCCc1ccc(OCCOc2cc(OC)ccc2CN)c(C(C)(C)C)c1
InChIInChI=1S/C22H31NO3/c1-6-16-7-10-20(19(13-16)22(2,3)4)25-11-12-26-21-14-18(24-5)9-8-17(21)15-23/h7-10,13-14H,6,11-12,15,23H2,1-5H3
InChIKeySERXSACLVDRCDS-UHFFFAOYSA-N
MW357.49 g/mol
LogP4.47
Rot. Bonds8

About [2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-4-methoxyphenyl]methanamine

[2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-4-methoxyphenyl]methanamine (PubChem CID 20987975) has the molecular formula C22H31NO3 and a molecular weight of 357.49 g/mol. Its IUPAC name is [2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-4-methoxyphenyl]methanamine
PubChem CID20987975
Molecular FormulaC22H31NO3
Molecular Weight357.49 g/mol
Exact Mass357.23
IUPAC Name[2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-4-methoxyphenyl]methanamine
SMILESCCc1ccc(OCCOc2cc(OC)ccc2CN)c(C(C)(C)C)c1
InChIInChI=1S/C22H31NO3/c1-6-16-7-10-20(19(13-16)22(2,3)4)25-11-12-26-21-14-18(24-5)9-8-17(21)15-23/h7-10,13-14H,6,11-12,15,23H2,1-5H3
InChIKeySERXSACLVDRCDS-UHFFFAOYSA-N
XLogP4.47
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 54.47
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-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]phenyl]methanamine
CID 22687466
2-[4-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 20984719
[2-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanamine
CID 54958135
[4-methoxy-2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine
CID 20985841
5-(2-tert-butyl-4-methoxyphenoxy)-2,2-dimethylpentan-1-amine
CID 65256212
[4-methoxy-2-(3-phenoxypropoxy)phenyl]methanamine
CID 62936765
N-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]-2-methylpropan-2-amine
CID 63476113
1-amino-4-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol
CID 64812535
[4-methoxy-2-(4-phenylbutoxy)phenyl]methanamine
CID 114332989
[2-[(3,4-difluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 82918459
[6-(2-tert-butyl-4-methoxyphenoxy)-3-pyridinyl]methanamine
CID 16786203
1-(3-bromopropoxy)-2-tert-butyl-4-methoxybenzene
CID 43135423

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-4-methoxyphenyl]methanamine?
The IUPAC name of [2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-4-methoxyphenyl]methanamine (CID 20987975) is [2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-4-methoxyphenyl]methanamine.
What is the SMILES notation for [2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-4-methoxyphenyl]methanamine?
The canonical SMILES for [2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-4-methoxyphenyl]methanamine is CCc1ccc(OCCOc2cc(OC)ccc2CN)c(C(C)(C)C)c1.
What is the InChIKey of [2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-4-methoxyphenyl]methanamine?
The InChIKey is SERXSACLVDRCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO3/c1-6-16-7-10-20(19(13-16)22(2,3)4)25-11-12-26-21-14-18(24-5)9-8-17(21)15-23/h7-10,13-14H,6,11-12,15,23H2,1-5H3.
What are the key properties of [2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-4-methoxyphenyl]methanamine?
[2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-4-methoxyphenyl]methanamine has a molecular weight of 357.49 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-4-methoxyphenyl]methanamine is sourced from PubChem (CID 20987975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).