N-ethyl-2-(4-methoxyphenyl)-2-(3-methylbutoxy)ethanamine

C16H27NO2 — CID 62107398

IUPACN-ethyl-2-(4-methoxyphenyl)-2-(3-methylbutoxy)ethanamine
SMILESCCNCC(OCCC(C)C)c1ccc(OC)cc1
InChIInChI=1S/C16H27NO2/c1-5-17-12-16(19-11-10-13(2)3)14-6-8-15(18-4)9-7-14/h6-9,13,16-17H,5,10-12H2,1-4H3
InChIKeyJBKOXZSKHDWHTL-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.41
Rot. Bonds9

About N-ethyl-2-(4-methoxyphenyl)-2-(3-methylbutoxy)ethanamine

N-ethyl-2-(4-methoxyphenyl)-2-(3-methylbutoxy)ethanamine (PubChem CID 62107398) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-ethyl-2-(4-methoxyphenyl)-2-(3-methylbutoxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-methoxyphenyl)-2-(3-methylbutoxy)ethanamine
PubChem CID62107398
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-ethyl-2-(4-methoxyphenyl)-2-(3-methylbutoxy)ethanamine
SMILESCCNCC(OCCC(C)C)c1ccc(OC)cc1
InChIInChI=1S/C16H27NO2/c1-5-17-12-16(19-11-10-13(2)3)14-6-8-15(18-4)9-7-14/h6-9,13,16-17H,5,10-12H2,1-4H3
InChIKeyJBKOXZSKHDWHTL-UHFFFAOYSA-N
XLogP3.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(4-methoxyphenyl)-2-propoxyethanamine
CID 55036698
2-(cyclohexylmethoxy)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 62384236
2-methyl-N-[2-(3-methylbutoxy)-2-phenylethyl]propan-1-amine
CID 55077407
N-[2-ethoxy-2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 62108346
2-(4-methoxyphenyl)-N-methyl-2-pentoxyethanamine
CID 62110727
N-ethyl-2-(3-methoxyphenyl)-2-propoxyethanamine
CID 55036120
N-[2-ethoxy-2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 62108347
2-(4-bromophenyl)-N-ethyl-2-(3-methoxypropoxy)ethanamine
CID 62106282
N-[2-(3-methylbutoxy)-2-(4-methylphenyl)ethyl]propan-2-amine
CID 55036236
N-ethyl-2-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 54856188
N-ethyl-2-[2-(3-methoxypropoxy)ethoxy]-2-(4-methylphenyl)ethanamine
CID 103180425
N-[2-(4-methoxyphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]propan-2-amine
CID 82962987

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methoxyphenyl)-2-(3-methylbutoxy)ethanamine?
The IUPAC name of N-ethyl-2-(4-methoxyphenyl)-2-(3-methylbutoxy)ethanamine (CID 62107398) is N-ethyl-2-(4-methoxyphenyl)-2-(3-methylbutoxy)ethanamine.
What is the SMILES notation for N-ethyl-2-(4-methoxyphenyl)-2-(3-methylbutoxy)ethanamine?
The canonical SMILES for N-ethyl-2-(4-methoxyphenyl)-2-(3-methylbutoxy)ethanamine is CCNCC(OCCC(C)C)c1ccc(OC)cc1.
What is the InChIKey of N-ethyl-2-(4-methoxyphenyl)-2-(3-methylbutoxy)ethanamine?
The InChIKey is JBKOXZSKHDWHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-17-12-16(19-11-10-13(2)3)14-6-8-15(18-4)9-7-14/h6-9,13,16-17H,5,10-12H2,1-4H3.
What are the key properties of N-ethyl-2-(4-methoxyphenyl)-2-(3-methylbutoxy)ethanamine?
N-ethyl-2-(4-methoxyphenyl)-2-(3-methylbutoxy)ethanamine has a molecular weight of 265.40 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methoxyphenyl)-2-(3-methylbutoxy)ethanamine is sourced from PubChem (CID 62107398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).