2-(4-ethoxyphenyl)-N-propan-2-yl-2-propylpentan-1-amine

C19H33NO — CID 63510070

IUPAC2-(4-ethoxyphenyl)-N-propan-2-yl-2-propylpentan-1-amine
SMILESCCCC(CCC)(CNC(C)C)c1ccc(OCC)cc1
InChIInChI=1S/C19H33NO/c1-6-13-19(14-7-2,15-20-16(4)5)17-9-11-18(12-10-17)21-8-3/h9-12,16,20H,6-8,13-15H2,1-5H3
InChIKeyONMWJZWRXANBCB-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.92
Rot. Bonds10

About 2-(4-ethoxyphenyl)-N-propan-2-yl-2-propylpentan-1-amine

2-(4-ethoxyphenyl)-N-propan-2-yl-2-propylpentan-1-amine (PubChem CID 63510070) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-propan-2-yl-2-propylpentan-1-amine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-propan-2-yl-2-propylpentan-1-amine
PubChem CID63510070
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name2-(4-ethoxyphenyl)-N-propan-2-yl-2-propylpentan-1-amine
SMILESCCCC(CCC)(CNC(C)C)c1ccc(OCC)cc1
InChIInChI=1S/C19H33NO/c1-6-13-19(14-7-2,15-20-16(4)5)17-9-11-18(12-10-17)21-8-3/h9-12,16,20H,6-8,13-15H2,1-5H3
InChIKeyONMWJZWRXANBCB-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethoxyphenyl)-2-propylpentan-1-amine
CID 54886699
4-(4-ethoxyphenyl)heptan-4-ol
CID 114865928
3-(4-tert-butylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79626396
N-[(4-ethoxyphenyl)sulfanylmethyl]propan-2-amine
CID 117032918
1-(4-ethoxyphenyl)-1-phenylbutan-1-ol
CID 62786789
2-(4-ethoxyphenyl)-3-[2-(4-ethoxyphenyl)propan-2-yloxy]butan-2-ol
CID 129179765
(2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol
CID 94601213
N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propan-2-amine
CID 29080754
1-N-[2-(4-ethoxyphenyl)-2-methylpropyl]propane-1,2-diamine
CID 115197050
N-[(4-ethoxyphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 113405276
1-(tert-butylamino)-2-(4-ethoxyphenyl)propan-2-ol
CID 62773212
3-(4-ethoxyphenyl)-N,3-dimethylbutan-1-amine
CID 79830478

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-propan-2-yl-2-propylpentan-1-amine?
The IUPAC name of 2-(4-ethoxyphenyl)-N-propan-2-yl-2-propylpentan-1-amine (CID 63510070) is 2-(4-ethoxyphenyl)-N-propan-2-yl-2-propylpentan-1-amine.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-propan-2-yl-2-propylpentan-1-amine?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-propan-2-yl-2-propylpentan-1-amine is CCCC(CCC)(CNC(C)C)c1ccc(OCC)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-propan-2-yl-2-propylpentan-1-amine?
The InChIKey is ONMWJZWRXANBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-6-13-19(14-7-2,15-20-16(4)5)17-9-11-18(12-10-17)21-8-3/h9-12,16,20H,6-8,13-15H2,1-5H3.
What are the key properties of 2-(4-ethoxyphenyl)-N-propan-2-yl-2-propylpentan-1-amine?
2-(4-ethoxyphenyl)-N-propan-2-yl-2-propylpentan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.92, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-propan-2-yl-2-propylpentan-1-amine is sourced from PubChem (CID 63510070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).