N-[2-hexoxy-1-(2-methylphenyl)ethyl]propan-1-amine

C18H31NO — CID 63474742

IUPACN-[2-hexoxy-1-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCCCCOCC(NCCC)c1ccccc1C
InChIInChI=1S/C18H31NO/c1-4-6-7-10-14-20-15-18(19-13-5-2)17-12-9-8-11-16(17)3/h8-9,11-12,18-19H,4-7,10,13-15H2,1-3H3
InChIKeyGMNKIFSOXLCAGE-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.63
Rot. Bonds11

About N-[2-hexoxy-1-(2-methylphenyl)ethyl]propan-1-amine

N-[2-hexoxy-1-(2-methylphenyl)ethyl]propan-1-amine (PubChem CID 63474742) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-[2-hexoxy-1-(2-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-hexoxy-1-(2-methylphenyl)ethyl]propan-1-amine
PubChem CID63474742
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-[2-hexoxy-1-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCCCCOCC(NCCC)c1ccccc1C
InChIInChI=1S/C18H31NO/c1-4-6-7-10-14-20-15-18(19-13-5-2)17-12-9-8-11-16(17)3/h8-9,11-12,18-19H,4-7,10,13-15H2,1-3H3
InChIKeyGMNKIFSOXLCAGE-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.63
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-methylphenyl)-2-octoxyethanamine
CID 43127875
1-(2,4-dimethylphenyl)-N-ethyl-2-hexoxyethanamine
CID 63475828
N-[1-(2-ethylphenyl)-2-propoxyethyl]propan-1-amine
CID 105008300
2-(2-methylphenyl)-2-(propylamino)ethanol
CID 61056185
N-[2-ethoxy-1-(2-iodo-3-methylphenyl)ethyl]propan-1-amine
CID 114030204
N-ethyl-2-heptoxy-1-phenylethanamine
CID 63475443
1-(2-fluoro-3-methylphenyl)-N-propyloctan-1-amine
CID 115832334
N-[2-cyclopentyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 63413342
N-[2-(2-methoxyethylsulfanyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 64614717
N-[(1R)-1-(2-methylphenyl)ethyl]heptan-1-amine
CID 81373594
3-methyl-1-(2-methylphenyl)-N-propylhexan-1-amine
CID 63413299
1-(2-iodophenyl)-N-propylheptan-1-amine
CID 115833162

Frequently Asked Questions

What is the IUPAC name of N-[2-hexoxy-1-(2-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-hexoxy-1-(2-methylphenyl)ethyl]propan-1-amine (CID 63474742) is N-[2-hexoxy-1-(2-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-hexoxy-1-(2-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-hexoxy-1-(2-methylphenyl)ethyl]propan-1-amine is CCCCCCOCC(NCCC)c1ccccc1C.
What is the InChIKey of N-[2-hexoxy-1-(2-methylphenyl)ethyl]propan-1-amine?
The InChIKey is GMNKIFSOXLCAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-4-6-7-10-14-20-15-18(19-13-5-2)17-12-9-8-11-16(17)3/h8-9,11-12,18-19H,4-7,10,13-15H2,1-3H3.
What are the key properties of N-[2-hexoxy-1-(2-methylphenyl)ethyl]propan-1-amine?
N-[2-hexoxy-1-(2-methylphenyl)ethyl]propan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.63, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hexoxy-1-(2-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63474742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).