N-ethyl-1-(4-propan-2-ylphenyl)-3-propoxypropan-1-amine

C17H29NO — CID 105144803

IUPACN-ethyl-1-(4-propan-2-ylphenyl)-3-propoxypropan-1-amine
SMILESCCCOCCC(NCC)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H29NO/c1-5-12-19-13-11-17(18-6-2)16-9-7-15(8-10-16)14(3)4/h7-10,14,17-18H,5-6,11-13H2,1-4H3
InChIKeyDBJPRQFNSILFHH-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.28
Rot. Bonds9

About N-ethyl-1-(4-propan-2-ylphenyl)-3-propoxypropan-1-amine

N-ethyl-1-(4-propan-2-ylphenyl)-3-propoxypropan-1-amine (PubChem CID 105144803) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-ethyl-1-(4-propan-2-ylphenyl)-3-propoxypropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-propan-2-ylphenyl)-3-propoxypropan-1-amine
PubChem CID105144803
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-ethyl-1-(4-propan-2-ylphenyl)-3-propoxypropan-1-amine
SMILESCCCOCCC(NCC)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H29NO/c1-5-12-19-13-11-17(18-6-2)16-9-7-15(8-10-16)14(3)4/h7-10,14,17-18H,5-6,11-13H2,1-4H3
InChIKeyDBJPRQFNSILFHH-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.28
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-(4-propan-2-ylphenyl)-3-propoxy-N-propylpropan-1-amine
CID 105144826
3-(2,2-difluoroethoxy)-N-ethyl-1-(4-propan-2-ylphenyl)propan-1-amine
CID 103149707
N-ethyl-2-(3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanamine
CID 63473833
N-ethyl-3-propoxy-1-thiophen-3-ylpropan-1-amine
CID 105153974
3-butoxy-N-ethyl-1-phenylpropan-1-amine
CID 115002192
3-ethoxy-N-ethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 105144753
1-(4-fluorophenyl)-3-propoxy-N-propylpropan-1-amine
CID 105088079
4-ethoxy-1-(4-propan-2-ylphenyl)-N-propylbutan-1-amine
CID 105144890
1-(4-ethoxyphenyl)-3-propoxy-N-propylpropan-1-amine
CID 105140802
1-(2,4-dichlorophenyl)-N-ethyl-3-propoxypropan-1-amine
CID 114281159
N-ethyl-1-(4-methylphenyl)-3-propan-2-yloxypropan-1-amine
CID 115002189
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-propoxypropan-1-amine
CID 105396834

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-propan-2-ylphenyl)-3-propoxypropan-1-amine?
The IUPAC name of N-ethyl-1-(4-propan-2-ylphenyl)-3-propoxypropan-1-amine (CID 105144803) is N-ethyl-1-(4-propan-2-ylphenyl)-3-propoxypropan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-propan-2-ylphenyl)-3-propoxypropan-1-amine?
The canonical SMILES for N-ethyl-1-(4-propan-2-ylphenyl)-3-propoxypropan-1-amine is CCCOCCC(NCC)c1ccc(C(C)C)cc1.
What is the InChIKey of N-ethyl-1-(4-propan-2-ylphenyl)-3-propoxypropan-1-amine?
The InChIKey is DBJPRQFNSILFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-12-19-13-11-17(18-6-2)16-9-7-15(8-10-16)14(3)4/h7-10,14,17-18H,5-6,11-13H2,1-4H3.
What are the key properties of N-ethyl-1-(4-propan-2-ylphenyl)-3-propoxypropan-1-amine?
N-ethyl-1-(4-propan-2-ylphenyl)-3-propoxypropan-1-amine has a molecular weight of 263.42 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-propan-2-ylphenyl)-3-propoxypropan-1-amine is sourced from PubChem (CID 105144803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).