4-ethoxy-1-(4-propan-2-ylphenyl)-N-propylbutan-1-amine

C18H31NO — CID 105144890

IUPAC4-ethoxy-1-(4-propan-2-ylphenyl)-N-propylbutan-1-amine
SMILESCCCNC(CCCOCC)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H31NO/c1-5-13-19-18(8-7-14-20-6-2)17-11-9-16(10-12-17)15(3)4/h9-12,15,18-19H,5-8,13-14H2,1-4H3
InChIKeyQXDXIHWIMWSJCD-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.67
Rot. Bonds10

About 4-ethoxy-1-(4-propan-2-ylphenyl)-N-propylbutan-1-amine

4-ethoxy-1-(4-propan-2-ylphenyl)-N-propylbutan-1-amine (PubChem CID 105144890) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 4-ethoxy-1-(4-propan-2-ylphenyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-ethoxy-1-(4-propan-2-ylphenyl)-N-propylbutan-1-amine
PubChem CID105144890
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name4-ethoxy-1-(4-propan-2-ylphenyl)-N-propylbutan-1-amine
SMILESCCCNC(CCCOCC)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H31NO/c1-5-13-19-18(8-7-14-20-6-2)17-11-9-16(10-12-17)15(3)4/h9-12,15,18-19H,5-8,13-14H2,1-4H3
InChIKeyQXDXIHWIMWSJCD-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.67
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-(3,4-dimethylphenyl)-4-ethoxy-N-propylbutan-1-amine
CID 105140388
1-(4-propan-2-ylphenyl)-3-propoxy-N-propylpropan-1-amine
CID 105144826
4-ethoxy-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 105146367
4-ethoxy-1-(3-ethylphenyl)-N-propylbutan-1-amine
CID 105171242
4-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 105144793
1-(2,3-dichlorophenyl)-4-ethoxy-N-propylbutan-1-amine
CID 105141909
4-ethoxy-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 105141501
N-ethyl-1-(4-propan-2-ylphenyl)-3-propoxypropan-1-amine
CID 105144803
4-ethoxy-1-(2-ethylpyrazol-3-yl)-N-propylbutan-1-amine
CID 105148476
1-(4-chlorophenyl)-N-propyloctan-1-amine
CID 43494757
1-(4-methoxyphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161012
1-(4-ethoxyphenyl)-N-propyloctan-1-amine
CID 43495169

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(4-propan-2-ylphenyl)-N-propylbutan-1-amine?
The IUPAC name of 4-ethoxy-1-(4-propan-2-ylphenyl)-N-propylbutan-1-amine (CID 105144890) is 4-ethoxy-1-(4-propan-2-ylphenyl)-N-propylbutan-1-amine.
What is the SMILES notation for 4-ethoxy-1-(4-propan-2-ylphenyl)-N-propylbutan-1-amine?
The canonical SMILES for 4-ethoxy-1-(4-propan-2-ylphenyl)-N-propylbutan-1-amine is CCCNC(CCCOCC)c1ccc(C(C)C)cc1.
What is the InChIKey of 4-ethoxy-1-(4-propan-2-ylphenyl)-N-propylbutan-1-amine?
The InChIKey is QXDXIHWIMWSJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-5-13-19-18(8-7-14-20-6-2)17-11-9-16(10-12-17)15(3)4/h9-12,15,18-19H,5-8,13-14H2,1-4H3.
What are the key properties of 4-ethoxy-1-(4-propan-2-ylphenyl)-N-propylbutan-1-amine?
4-ethoxy-1-(4-propan-2-ylphenyl)-N-propylbutan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.67, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(4-propan-2-ylphenyl)-N-propylbutan-1-amine is sourced from PubChem (CID 105144890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).