2-(4-ethoxyphenyl)-2-propylpentan-1-amine

C16H27NO — CID 54886699

IUPAC2-(4-ethoxyphenyl)-2-propylpentan-1-amine
SMILESCCCC(CN)(CCC)c1ccc(OCC)cc1
InChIInChI=1S/C16H27NO/c1-4-11-16(13-17,12-5-2)14-7-9-15(10-8-14)18-6-3/h7-10H,4-6,11-13,17H2,1-3H3
InChIKeyPIAIXSHLCOYSAQ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.88
Rot. Bonds8

About 2-(4-ethoxyphenyl)-2-propylpentan-1-amine

2-(4-ethoxyphenyl)-2-propylpentan-1-amine (PubChem CID 54886699) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-2-propylpentan-1-amine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-2-propylpentan-1-amine
PubChem CID54886699
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-(4-ethoxyphenyl)-2-propylpentan-1-amine
SMILESCCCC(CN)(CCC)c1ccc(OCC)cc1
InChIInChI=1S/C16H27NO/c1-4-11-16(13-17,12-5-2)14-7-9-15(10-8-14)18-6-3/h7-10H,4-6,11-13,17H2,1-3H3
InChIKeyPIAIXSHLCOYSAQ-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethoxyphenyl)-N-propan-2-yl-2-propylpentan-1-amine
CID 63510070
4-(4-ethoxyphenyl)heptan-4-ol
CID 114865928
1-(4-ethoxyphenyl)-1-phenylbutan-1-ol
CID 62786789
3-(4-ethoxyphenyl)pentan-3-ol
CID 62788135
1-(4-ethoxyphenyl)-1-phenylethanamine
CID 62787644
1-(4-ethoxyphenyl)-1-(4-methylphenyl)ethanamine
CID 62788691
3-(4-ethoxyphenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
CID 84752096
3-(aminomethyl)-3-(4-methoxyphenyl)pentan-1-ol
CID 66090969
2-(4-chlorophenyl)-4-methyl-2-propylpentan-1-amine
CID 82017487
2-[(4-ethoxyphenyl)methyl]-2-ethylbutan-1-amine
CID 82111067
3-(4-ethoxyphenyl)-N,3-dimethylbutan-1-amine
CID 79830478
2-[4-(4-ethoxyphenyl)phenyl]-2-methylpropanenitrile
CID 82091776

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-2-propylpentan-1-amine?
The IUPAC name of 2-(4-ethoxyphenyl)-2-propylpentan-1-amine (CID 54886699) is 2-(4-ethoxyphenyl)-2-propylpentan-1-amine.
What is the SMILES notation for 2-(4-ethoxyphenyl)-2-propylpentan-1-amine?
The canonical SMILES for 2-(4-ethoxyphenyl)-2-propylpentan-1-amine is CCCC(CN)(CCC)c1ccc(OCC)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-2-propylpentan-1-amine?
The InChIKey is PIAIXSHLCOYSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-11-16(13-17,12-5-2)14-7-9-15(10-8-14)18-6-3/h7-10H,4-6,11-13,17H2,1-3H3.
What are the key properties of 2-(4-ethoxyphenyl)-2-propylpentan-1-amine?
2-(4-ethoxyphenyl)-2-propylpentan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-2-propylpentan-1-amine is sourced from PubChem (CID 54886699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).