N-ethyl-2-(3-methoxy-3-methylbutoxy)-2-(2-methylphenyl)ethanamine

C17H29NO2 — CID 106667087

IUPACN-ethyl-2-(3-methoxy-3-methylbutoxy)-2-(2-methylphenyl)ethanamine
SMILESCCNCC(OCCC(C)(C)OC)c1ccccc1C
InChIInChI=1S/C17H29NO2/c1-6-18-13-16(15-10-8-7-9-14(15)2)20-12-11-17(3,4)19-5/h7-10,16,18H,6,11-13H2,1-5H3
InChIKeyKMJKSUVUCIFOHJ-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.48
Rot. Bonds9

About N-ethyl-2-(3-methoxy-3-methylbutoxy)-2-(2-methylphenyl)ethanamine

N-ethyl-2-(3-methoxy-3-methylbutoxy)-2-(2-methylphenyl)ethanamine (PubChem CID 106667087) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-ethyl-2-(3-methoxy-3-methylbutoxy)-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-methoxy-3-methylbutoxy)-2-(2-methylphenyl)ethanamine
PubChem CID106667087
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-ethyl-2-(3-methoxy-3-methylbutoxy)-2-(2-methylphenyl)ethanamine
SMILESCCNCC(OCCC(C)(C)OC)c1ccccc1C
InChIInChI=1S/C17H29NO2/c1-6-18-13-16(15-10-8-7-9-14(15)2)20-12-11-17(3,4)19-5/h7-10,16,18H,6,11-13H2,1-5H3
InChIKeyKMJKSUVUCIFOHJ-UHFFFAOYSA-N
XLogP3.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxy-3-methylbutoxy)-N-methyl-2-(2-methylphenyl)ethanamine
CID 106667108
2-(2-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)-N-methylethanamine
CID 106667015
N-[2-(2-methoxyethoxy)-2-(2-methylphenyl)ethyl]-2-methylpropan-2-amine
CID 55036431
N-methyl-2-(2-methylphenyl)-2-propoxyethanamine
CID 62106404
N-[2-(3-methoxypropoxy)-2-(2-methylphenyl)ethyl]-2-methylpropan-2-amine
CID 62108762
N-[2-(2-cyclopropylethoxy)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 106204944
3-methoxy-3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine
CID 103033487
N-[2-(2-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]cyclopropanamine
CID 82957812
N-ethyl-2-heptoxy-2-(2-methoxyphenyl)ethanamine
CID 62109368
N-methyl-2-(2-methylphenyl)-2-(2-propoxyethoxy)ethanamine
CID 63684704
2-(2-bromophenyl)-N-ethyl-2-(2-propan-2-yloxyethoxy)ethanamine
CID 62108481
1-(2-chlorophenyl)-1-(3-methoxy-3-methylbutoxy)butan-2-amine
CID 106664975

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methoxy-3-methylbutoxy)-2-(2-methylphenyl)ethanamine?
The IUPAC name of N-ethyl-2-(3-methoxy-3-methylbutoxy)-2-(2-methylphenyl)ethanamine (CID 106667087) is N-ethyl-2-(3-methoxy-3-methylbutoxy)-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(3-methoxy-3-methylbutoxy)-2-(2-methylphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(3-methoxy-3-methylbutoxy)-2-(2-methylphenyl)ethanamine is CCNCC(OCCC(C)(C)OC)c1ccccc1C.
What is the InChIKey of N-ethyl-2-(3-methoxy-3-methylbutoxy)-2-(2-methylphenyl)ethanamine?
The InChIKey is KMJKSUVUCIFOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-18-13-16(15-10-8-7-9-14(15)2)20-12-11-17(3,4)19-5/h7-10,16,18H,6,11-13H2,1-5H3.
What are the key properties of N-ethyl-2-(3-methoxy-3-methylbutoxy)-2-(2-methylphenyl)ethanamine?
N-ethyl-2-(3-methoxy-3-methylbutoxy)-2-(2-methylphenyl)ethanamine has a molecular weight of 279.42 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methoxy-3-methylbutoxy)-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 106667087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).