1-[2-(2-ethylhexoxy)-4-methoxyphenyl]-N-methylethanamine

C18H31NO2 — CID 82000355

IUPAC1-[2-(2-ethylhexoxy)-4-methoxyphenyl]-N-methylethanamine
SMILESCCCCC(CC)COc1cc(OC)ccc1C(C)NC
InChIInChI=1S/C18H31NO2/c1-6-8-9-15(7-2)13-21-18-12-16(20-5)10-11-17(18)14(3)19-4/h10-12,14-15,19H,6-9,13H2,1-5H3
InChIKeyMLLHGRRXVJDRIU-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.57
Rot. Bonds10

About 1-[2-(2-ethylhexoxy)-4-methoxyphenyl]-N-methylethanamine

1-[2-(2-ethylhexoxy)-4-methoxyphenyl]-N-methylethanamine (PubChem CID 82000355) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-[2-(2-ethylhexoxy)-4-methoxyphenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(2-ethylhexoxy)-4-methoxyphenyl]-N-methylethanamine
PubChem CID82000355
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-[2-(2-ethylhexoxy)-4-methoxyphenyl]-N-methylethanamine
SMILESCCCCC(CC)COc1cc(OC)ccc1C(C)NC
InChIInChI=1S/C18H31NO2/c1-6-8-9-15(7-2)13-21-18-12-16(20-5)10-11-17(18)14(3)19-4/h10-12,14-15,19H,6-9,13H2,1-5H3
InChIKeyMLLHGRRXVJDRIU-UHFFFAOYSA-N
XLogP4.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-ethylbutoxy)-4-methoxyphenyl]-N-methylethanamine
CID 82927641
1-[4-(2-ethylhexoxy)-2-fluorophenyl]-N-methylethanamine
CID 107716594
2-(2-ethylhexoxy)-4-methoxybenzenecarbothioamide
CID 81303744
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
1-(2-butan-2-yloxy-4-methoxyphenyl)-N-methylethanamine
CID 82000203
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
1-[[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol
CID 82000030
4-(2-ethylhexoxy)-N-methylaniline
CID 63423828
2-[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]butanamide
CID 82000489
1-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-methylethanamine
CID 82000485
N-ethyl-1-[2-(2-ethylhexoxy)-5-methylphenyl]ethanamine
CID 63499914
1-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine
CID 114752343

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylhexoxy)-4-methoxyphenyl]-N-methylethanamine?
The IUPAC name of 1-[2-(2-ethylhexoxy)-4-methoxyphenyl]-N-methylethanamine (CID 82000355) is 1-[2-(2-ethylhexoxy)-4-methoxyphenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(2-ethylhexoxy)-4-methoxyphenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(2-ethylhexoxy)-4-methoxyphenyl]-N-methylethanamine is CCCCC(CC)COc1cc(OC)ccc1C(C)NC.
What is the InChIKey of 1-[2-(2-ethylhexoxy)-4-methoxyphenyl]-N-methylethanamine?
The InChIKey is MLLHGRRXVJDRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-6-8-9-15(7-2)13-21-18-12-16(20-5)10-11-17(18)14(3)19-4/h10-12,14-15,19H,6-9,13H2,1-5H3.
What are the key properties of 1-[2-(2-ethylhexoxy)-4-methoxyphenyl]-N-methylethanamine?
1-[2-(2-ethylhexoxy)-4-methoxyphenyl]-N-methylethanamine has a molecular weight of 293.45 g/mol, XLogP of 4.57, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylhexoxy)-4-methoxyphenyl]-N-methylethanamine is sourced from PubChem (CID 82000355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).