N-ethyl-1-[2-(2-ethylhexoxy)-5-methylphenyl]ethanamine

C19H33NO — CID 63499914

IUPACN-ethyl-1-[2-(2-ethylhexoxy)-5-methylphenyl]ethanamine
SMILESCCCCC(CC)COc1ccc(C)cc1C(C)NCC
InChIInChI=1S/C19H33NO/c1-6-9-10-17(7-2)14-21-19-12-11-15(4)13-18(19)16(5)20-8-3/h11-13,16-17,20H,6-10,14H2,1-5H3
InChIKeyWQGOWQSQLAMJEC-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.26
Rot. Bonds10

About N-ethyl-1-[2-(2-ethylhexoxy)-5-methylphenyl]ethanamine

N-ethyl-1-[2-(2-ethylhexoxy)-5-methylphenyl]ethanamine (PubChem CID 63499914) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N-ethyl-1-[2-(2-ethylhexoxy)-5-methylphenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-(2-ethylhexoxy)-5-methylphenyl]ethanamine
PubChem CID63499914
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN-ethyl-1-[2-(2-ethylhexoxy)-5-methylphenyl]ethanamine
SMILESCCCCC(CC)COc1ccc(C)cc1C(C)NCC
InChIInChI=1S/C19H33NO/c1-6-9-10-17(7-2)14-21-19-12-11-15(4)13-18(19)16(5)20-8-3/h11-13,16-17,20H,6-10,14H2,1-5H3
InChIKeyWQGOWQSQLAMJEC-UHFFFAOYSA-N
XLogP5.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-butoxy-5-methylphenyl)-N-ethylethanamine
CID 43505150
N-ethyl-1-(2-hexoxy-5-methylphenyl)ethanamine
CID 43505152
N-[[2-(2-ethylhexoxy)-5-methylphenyl]methyl]ethanamine
CID 63485344
2-(2-ethylhexoxy)-4-methylaniline
CID 63404064
N-ethyl-1-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine
CID 43505142
2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]acetonitrile
CID 60887297
2-[(2S)-2-ethylhexoxy]-4-methylbenzonitrile
CID 5479081
1-(2-ethylhexoxy)-4-methyl-2-nitrobenzene
CID 90285716
1-[2-(difluoromethoxy)-5-methylphenyl]-N-ethylethanamine
CID 43505197
1-[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]-N-ethylethanamine
CID 79167893
1-[2-(cyclopentylmethoxy)-5-methylphenyl]-N-ethylethanamine
CID 61344981
1-[5-chloro-2-(2-ethylhexoxy)phenyl]ethanamine
CID 63499413

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(2-ethylhexoxy)-5-methylphenyl]ethanamine?
The IUPAC name of N-ethyl-1-[2-(2-ethylhexoxy)-5-methylphenyl]ethanamine (CID 63499914) is N-ethyl-1-[2-(2-ethylhexoxy)-5-methylphenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-(2-ethylhexoxy)-5-methylphenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-(2-ethylhexoxy)-5-methylphenyl]ethanamine is CCCCC(CC)COc1ccc(C)cc1C(C)NCC.
What is the InChIKey of N-ethyl-1-[2-(2-ethylhexoxy)-5-methylphenyl]ethanamine?
The InChIKey is WQGOWQSQLAMJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-6-9-10-17(7-2)14-21-19-12-11-15(4)13-18(19)16(5)20-8-3/h11-13,16-17,20H,6-10,14H2,1-5H3.
What are the key properties of N-ethyl-1-[2-(2-ethylhexoxy)-5-methylphenyl]ethanamine?
N-ethyl-1-[2-(2-ethylhexoxy)-5-methylphenyl]ethanamine has a molecular weight of 291.48 g/mol, XLogP of 5.26, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(2-ethylhexoxy)-5-methylphenyl]ethanamine is sourced from PubChem (CID 63499914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).