N-ethyl-3-methoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-amine

C17H29NO2 — CID 116724723

IUPACN-ethyl-3-methoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-amine
SMILESCCNC(Cc1ccccc1OC)C(OC)C(C)(C)C
InChIInChI=1S/C17H29NO2/c1-7-18-14(16(20-6)17(2,3)4)12-13-10-8-9-11-15(13)19-5/h8-11,14,16,18H,7,12H2,1-6H3
InChIKeyUWQHKJYBPDEAGS-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.28
Rot. Bonds7

About N-ethyl-3-methoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-amine

N-ethyl-3-methoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-amine (PubChem CID 116724723) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-ethyl-3-methoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-amine
PubChem CID116724723
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-ethyl-3-methoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-amine
SMILESCCNC(Cc1ccccc1OC)C(OC)C(C)(C)C
InChIInChI=1S/C17H29NO2/c1-7-18-14(16(20-6)17(2,3)4)12-13-10-8-9-11-15(13)19-5/h8-11,14,16,18H,7,12H2,1-6H3
InChIKeyUWQHKJYBPDEAGS-UHFFFAOYSA-N
XLogP3.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methoxy-1-(2-methoxyphenyl)-4-methylpentan-2-amine
CID 116720261
3-ethoxy-N-ethyl-1-(2-methoxyphenyl)-4-methylpentan-2-amine
CID 116721401
1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 103049142
[1-(2-fluoro-3-methoxyphenyl)-3-methoxy-4,4-dimethylpentan-2-yl]hydrazine
CID 105273616
3-ethoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol
CID 116713469
1-(4-bromo-2-chlorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724731
1-cyclopropyl-1-ethoxy-N-ethyl-3-(2-methoxyphenyl)propan-2-amine
CID 116723635
N-ethyl-1-(2-methoxyphenyl)-3-phenylpropan-2-amine
CID 61263100
N-ethyl-1-(2-methoxyphenyl)-4,6,6-trimethylheptan-2-amine
CID 115813662
[1-(2-methoxyphenyl)-3,4-dimethylpentan-2-yl]hydrazine
CID 105289474
1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol
CID 63018076
1-(2-methoxyphenyl)-4,5,5-trimethyl-N-propylhexan-2-amine
CID 63833464

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-amine?
The IUPAC name of N-ethyl-3-methoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-amine (CID 116724723) is N-ethyl-3-methoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-amine.
What is the SMILES notation for N-ethyl-3-methoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-amine?
The canonical SMILES for N-ethyl-3-methoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-amine is CCNC(Cc1ccccc1OC)C(OC)C(C)(C)C.
What is the InChIKey of N-ethyl-3-methoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-amine?
The InChIKey is UWQHKJYBPDEAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-7-18-14(16(20-6)17(2,3)4)12-13-10-8-9-11-15(13)19-5/h8-11,14,16,18H,7,12H2,1-6H3.
What are the key properties of N-ethyl-3-methoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-amine?
N-ethyl-3-methoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-amine has a molecular weight of 279.42 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 116724723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).