2-ethyl-1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine

C17H29NO — CID 43487417

IUPAC2-ethyl-1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine
SMILESCCCCC(CC)C(NC)c1ccc(OC)c(C)c1
InChIInChI=1S/C17H29NO/c1-6-8-9-14(7-2)17(18-4)15-10-11-16(19-5)13(3)12-15/h10-12,14,17-18H,6-9H2,1-5H3
InChIKeyTZDNCGXJPRQIQY-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.48
Rot. Bonds8

About 2-ethyl-1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine

2-ethyl-1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine (PubChem CID 43487417) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-ethyl-1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine
PubChem CID43487417
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-ethyl-1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine
SMILESCCCCC(CC)C(NC)c1ccc(OC)c(C)c1
InChIInChI=1S/C17H29NO/c1-6-8-9-14(7-2)17(18-4)15-10-11-16(19-5)13(3)12-15/h10-12,14,17-18H,6-9H2,1-5H3
InChIKeyTZDNCGXJPRQIQY-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-N-methylhexan-1-amine
CID 83057136
1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine
CID 43487418
2,2-difluoro-1-(4-methoxy-3-methylphenyl)-N-methylethanamine
CID 80605627
2-ethyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43487704
1-(4-methoxy-3-methylphenyl)-N,2-dipropylpentan-1-amine
CID 82984206
2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylhexan-1-amine
CID 62868133
[2-ethyl-1-(4-methoxy-2,5-dimethylphenyl)hexyl]hydrazine
CID 105332979
2-ethyl-1-(2-fluoro-3-methoxyphenyl)-N-methylhexan-1-amine
CID 105024920
1-(4-methoxy-3-methylphenyl)decan-1-ol
CID 65148116
1-(4-methoxy-3-methylphenyl)decan-1-amine
CID 65448006
(1S,2R)-1-amino-1-(4-methoxy-3-methylphenyl)hexan-2-ol
CID 171270776
1-(4-methoxy-3-methylphenyl)-N,5-dimethylhexan-1-amine
CID 83161919

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine?
The IUPAC name of 2-ethyl-1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine (CID 43487417) is 2-ethyl-1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine.
What is the SMILES notation for 2-ethyl-1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine?
The canonical SMILES for 2-ethyl-1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine is CCCCC(CC)C(NC)c1ccc(OC)c(C)c1.
What is the InChIKey of 2-ethyl-1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine?
The InChIKey is TZDNCGXJPRQIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-8-9-14(7-2)17(18-4)15-10-11-16(19-5)13(3)12-15/h10-12,14,17-18H,6-9H2,1-5H3.
What are the key properties of 2-ethyl-1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine?
2-ethyl-1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine is sourced from PubChem (CID 43487417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).