2-[4-[2-(3-methoxy-3-methylbutoxy)ethoxy]phenyl]ethanamine

C16H27NO3 — CID 106665158

IUPAC2-[4-[2-(3-methoxy-3-methylbutoxy)ethoxy]phenyl]ethanamine
SMILESCOC(C)(C)CCOCCOc1ccc(CCN)cc1
InChIInChI=1S/C16H27NO3/c1-16(2,18-3)9-11-19-12-13-20-15-6-4-14(5-7-15)8-10-17/h4-7H,8-13,17H2,1-3H3
InChIKeyLOUTVVRPTGWEBC-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.40
Rot. Bonds10

About 2-[4-[2-(3-methoxy-3-methylbutoxy)ethoxy]phenyl]ethanamine

2-[4-[2-(3-methoxy-3-methylbutoxy)ethoxy]phenyl]ethanamine (PubChem CID 106665158) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[4-[2-(3-methoxy-3-methylbutoxy)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[2-(3-methoxy-3-methylbutoxy)ethoxy]phenyl]ethanamine
PubChem CID106665158
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-[4-[2-(3-methoxy-3-methylbutoxy)ethoxy]phenyl]ethanamine
SMILESCOC(C)(C)CCOCCOc1ccc(CCN)cc1
InChIInChI=1S/C16H27NO3/c1-16(2,18-3)9-11-19-12-13-20-15-6-4-14(5-7-15)8-10-17/h4-7H,8-13,17H2,1-3H3
InChIKeyLOUTVVRPTGWEBC-UHFFFAOYSA-N
XLogP2.40
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.40
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-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine
CID 152682360
2-[4-[2-(2-phenylethoxy)ethoxy]phenyl]ethanamine
CID 43254415
1-chloro-4-(3-methoxy-3-methylbutoxy)benzene
CID 102974966
4-[4-(2-aminoethyl)phenoxy]-2,2-dimethylbutanenitrile
CID 65251071
2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine
CID 138454042
2-(4-propoxyphenyl)ethanamine;hydrochloride
CID 3043938
[4-[2-[4-(2-aminoethyl)phenoxy]ethoxy]phenyl]methanol
CID 61229719
[4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine
CID 46222769
2-[4-(2-tert-butylsulfinylethoxy)phenyl]ethanamine
CID 81329447
1-methyl-4-[2-[4-[2-[2-[4-[2-(4-methylphenyl)ethyl]phenoxy]ethoxy]ethoxy]phenyl]ethyl]benzene
CID 139518655
2-[4-(3-methylbutoxy)phenyl]ethanamine
CID 16786544
4-[4-(3-methoxy-3-methylbutyl)phenyl]butan-1-amine
CID 117115635

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-methoxy-3-methylbutoxy)ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[4-[2-(3-methoxy-3-methylbutoxy)ethoxy]phenyl]ethanamine (CID 106665158) is 2-[4-[2-(3-methoxy-3-methylbutoxy)ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[2-(3-methoxy-3-methylbutoxy)ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[4-[2-(3-methoxy-3-methylbutoxy)ethoxy]phenyl]ethanamine is COC(C)(C)CCOCCOc1ccc(CCN)cc1.
What is the InChIKey of 2-[4-[2-(3-methoxy-3-methylbutoxy)ethoxy]phenyl]ethanamine?
The InChIKey is LOUTVVRPTGWEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-16(2,18-3)9-11-19-12-13-20-15-6-4-14(5-7-15)8-10-17/h4-7H,8-13,17H2,1-3H3.
What are the key properties of 2-[4-[2-(3-methoxy-3-methylbutoxy)ethoxy]phenyl]ethanamine?
2-[4-[2-(3-methoxy-3-methylbutoxy)ethoxy]phenyl]ethanamine has a molecular weight of 281.40 g/mol, XLogP of 2.40, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-methoxy-3-methylbutoxy)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 106665158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).