2-(3-methoxy-3-methylbutoxy)-1-(3-methoxyphenyl)ethanamine

C15H25NO3 — CID 106665334

IUPAC2-(3-methoxy-3-methylbutoxy)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(N)COCCC(C)(C)OC)c1
InChIInChI=1S/C15H25NO3/c1-15(2,18-4)8-9-19-11-14(16)12-6-5-7-13(10-12)17-3/h5-7,10,14H,8-9,11,16H2,1-4H3
InChIKeyMSSIDQPIELNLSB-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.53
Rot. Bonds8

About 2-(3-methoxy-3-methylbutoxy)-1-(3-methoxyphenyl)ethanamine

2-(3-methoxy-3-methylbutoxy)-1-(3-methoxyphenyl)ethanamine (PubChem CID 106665334) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylbutoxy)-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-methoxy-3-methylbutoxy)-1-(3-methoxyphenyl)ethanamine
PubChem CID106665334
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-(3-methoxy-3-methylbutoxy)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(N)COCCC(C)(C)OC)c1
InChIInChI=1S/C15H25NO3/c1-15(2,18-4)8-9-19-11-14(16)12-6-5-7-13(10-12)17-3/h5-7,10,14H,8-9,11,16H2,1-4H3
InChIKeyMSSIDQPIELNLSB-UHFFFAOYSA-N
XLogP2.53
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.53
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-methoxy-1-(3-methoxyphenyl)-3-methylbutan-1-amine
CID 103024842
2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)ethanamine
CID 82004138
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
2-(3-methoxy-3-methylbutoxy)-1-naphthalen-1-ylethanamine
CID 106665394
1-(3-methoxyphenyl)-2-(2-methylpentoxy)ethanamine
CID 103283486
3,3,3-trifluoro-1-(3-methoxyphenyl)propan-1-amine
CID 61392780
2-(3-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine
CID 62336890
2-(4-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine
CID 16791340
1-(3-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine
CID 117242766
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
1-(3-methoxyphenyl)-2-pyridin-3-yloxyethanamine
CID 117242794
1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
CID 54599738

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylbutoxy)-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of 2-(3-methoxy-3-methylbutoxy)-1-(3-methoxyphenyl)ethanamine (CID 106665334) is 2-(3-methoxy-3-methylbutoxy)-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-methoxy-3-methylbutoxy)-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(3-methoxy-3-methylbutoxy)-1-(3-methoxyphenyl)ethanamine is COc1cccc(C(N)COCCC(C)(C)OC)c1.
What is the InChIKey of 2-(3-methoxy-3-methylbutoxy)-1-(3-methoxyphenyl)ethanamine?
The InChIKey is MSSIDQPIELNLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-15(2,18-4)8-9-19-11-14(16)12-6-5-7-13(10-12)17-3/h5-7,10,14H,8-9,11,16H2,1-4H3.
What are the key properties of 2-(3-methoxy-3-methylbutoxy)-1-(3-methoxyphenyl)ethanamine?
2-(3-methoxy-3-methylbutoxy)-1-(3-methoxyphenyl)ethanamine has a molecular weight of 267.37 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylbutoxy)-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 106665334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).