N-ethyl-1-(2-hexoxy-5-methylphenyl)ethanamine

C17H29NO — CID 43505152

IUPACN-ethyl-1-(2-hexoxy-5-methylphenyl)ethanamine
SMILESCCCCCCOc1ccc(C)cc1C(C)NCC
InChIInChI=1S/C17H29NO/c1-5-7-8-9-12-19-17-11-10-14(3)13-16(17)15(4)18-6-2/h10-11,13,15,18H,5-9,12H2,1-4H3
InChIKeyATXMAJDKBWUNCP-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.62
Rot. Bonds9

About N-ethyl-1-(2-hexoxy-5-methylphenyl)ethanamine

N-ethyl-1-(2-hexoxy-5-methylphenyl)ethanamine (PubChem CID 43505152) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-ethyl-1-(2-hexoxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-hexoxy-5-methylphenyl)ethanamine
PubChem CID43505152
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-ethyl-1-(2-hexoxy-5-methylphenyl)ethanamine
SMILESCCCCCCOc1ccc(C)cc1C(C)NCC
InChIInChI=1S/C17H29NO/c1-5-7-8-9-12-19-17-11-10-14(3)13-16(17)15(4)18-6-2/h10-11,13,15,18H,5-9,12H2,1-4H3
InChIKeyATXMAJDKBWUNCP-UHFFFAOYSA-N
XLogP4.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-butoxy-5-methylphenyl)-N-ethylethanamine
CID 43505150
1-(5-chloro-2-hexoxyphenyl)-N-ethylethanamine
CID 55194219
N-ethyl-1-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine
CID 43505142
N-ethyl-1-(5-fluoro-2-pentoxyphenyl)ethanamine
CID 43286048
N-ethyl-1-[2-(2-ethylhexoxy)-5-methylphenyl]ethanamine
CID 63499914
N-[1-[2-(2-butoxyethoxy)-5-methylphenyl]ethyl]propan-1-amine
CID 61483064
N-[1-(2-hept-6-enoxy-5-methylphenyl)ethyl]propan-1-amine
CID 107006103
2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]acetonitrile
CID 60887297
1-[2-(2-butoxyethoxy)-4-methylphenyl]-N-ethylethanamine
CID 63640993
1-(2-ethoxy-5-methylphenyl)-N-ethylheptan-1-amine
CID 114752520
1-[2-(difluoromethoxy)-5-methylphenyl]-N-ethylethanamine
CID 43505197
1-[2-(3-ethoxypropoxy)-4-methylphenyl]-N-ethylethanamine
CID 65176576

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-hexoxy-5-methylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(2-hexoxy-5-methylphenyl)ethanamine (CID 43505152) is N-ethyl-1-(2-hexoxy-5-methylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-hexoxy-5-methylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-hexoxy-5-methylphenyl)ethanamine is CCCCCCOc1ccc(C)cc1C(C)NCC.
What is the InChIKey of N-ethyl-1-(2-hexoxy-5-methylphenyl)ethanamine?
The InChIKey is ATXMAJDKBWUNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-7-8-9-12-19-17-11-10-14(3)13-16(17)15(4)18-6-2/h10-11,13,15,18H,5-9,12H2,1-4H3.
What are the key properties of N-ethyl-1-(2-hexoxy-5-methylphenyl)ethanamine?
N-ethyl-1-(2-hexoxy-5-methylphenyl)ethanamine has a molecular weight of 263.43 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-hexoxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 43505152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).