N-ethyl-2-hexoxy-1-(4-propylphenyl)ethanamine

C19H33NO — CID 63475832

IUPACN-ethyl-2-hexoxy-1-(4-propylphenyl)ethanamine
SMILESCCCCCCOCC(NCC)c1ccc(CCC)cc1
InChIInChI=1S/C19H33NO/c1-4-7-8-9-15-21-16-19(20-6-3)18-13-11-17(10-5-2)12-14-18/h11-14,19-20H,4-10,15-16H2,1-3H3
InChIKeyGDWVJBOXFAROPU-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.89
Rot. Bonds12

About N-ethyl-2-hexoxy-1-(4-propylphenyl)ethanamine

N-ethyl-2-hexoxy-1-(4-propylphenyl)ethanamine (PubChem CID 63475832) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N-ethyl-2-hexoxy-1-(4-propylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-hexoxy-1-(4-propylphenyl)ethanamine
PubChem CID63475832
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN-ethyl-2-hexoxy-1-(4-propylphenyl)ethanamine
SMILESCCCCCCOCC(NCC)c1ccc(CCC)cc1
InChIInChI=1S/C19H33NO/c1-4-7-8-9-15-21-16-19(20-6-3)18-13-11-17(10-5-2)12-14-18/h11-14,19-20H,4-10,15-16H2,1-3H3
InChIKeyGDWVJBOXFAROPU-UHFFFAOYSA-N
XLogP4.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.89
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

N-ethyl-2-heptoxy-1-phenylethanamine
CID 63475443
2-heptoxy-1-(4-propylphenyl)ethanamine
CID 43127468
2-(2,2-difluoroethoxy)-N-ethyl-1-(4-propylphenyl)ethanamine
CID 82004546
2-cyclobutyloxy-N-ethyl-1-(4-propylphenyl)ethanamine
CID 62116839
2-(2-butoxyethoxy)-1-(4-propylphenyl)ethanamine
CID 43127522
N-ethyl-1-(4-hexoxyphenyl)propan-1-amine
CID 43280119
2-butylsulfonyl-N-ethyl-1-(4-propylphenyl)ethanamine
CID 64674358
1-(4-tert-butylphenyl)-2-hexoxy-N-methylethanamine
CID 63475997
1-(2,4-dimethylphenyl)-N-ethyl-2-hexoxyethanamine
CID 63475828
4-[1-(ethylamino)-2-propoxyethyl]-N,N-dimethylaniline
CID 105165499
N-ethyl-1-(4-propylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66277594
2-(2-cyclobutylethoxy)-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 106200984

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-hexoxy-1-(4-propylphenyl)ethanamine?
The IUPAC name of N-ethyl-2-hexoxy-1-(4-propylphenyl)ethanamine (CID 63475832) is N-ethyl-2-hexoxy-1-(4-propylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-hexoxy-1-(4-propylphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-hexoxy-1-(4-propylphenyl)ethanamine is CCCCCCOCC(NCC)c1ccc(CCC)cc1.
What is the InChIKey of N-ethyl-2-hexoxy-1-(4-propylphenyl)ethanamine?
The InChIKey is GDWVJBOXFAROPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-4-7-8-9-15-21-16-19(20-6-3)18-13-11-17(10-5-2)12-14-18/h11-14,19-20H,4-10,15-16H2,1-3H3.
What are the key properties of N-ethyl-2-hexoxy-1-(4-propylphenyl)ethanamine?
N-ethyl-2-hexoxy-1-(4-propylphenyl)ethanamine has a molecular weight of 291.48 g/mol, XLogP of 4.89, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-hexoxy-1-(4-propylphenyl)ethanamine is sourced from PubChem (CID 63475832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).