3-(4-ethylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine

C16H27NO — CID 79626545

IUPAC3-(4-ethylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
SMILESCCc1ccc(OCC(C)(C)CNC(C)C)cc1
InChIInChI=1S/C16H27NO/c1-6-14-7-9-15(10-8-14)18-12-16(4,5)11-17-13(2)3/h7-10,13,17H,6,11-12H2,1-5H3
InChIKeySSNVJMUVAZSZFG-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.65
Rot. Bonds7

About 3-(4-ethylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine

3-(4-ethylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine (PubChem CID 79626545) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-(4-ethylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-ethylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
PubChem CID79626545
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name3-(4-ethylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
SMILESCCc1ccc(OCC(C)(C)CNC(C)C)cc1
InChIInChI=1S/C16H27NO/c1-6-14-7-9-15(10-8-14)18-12-16(4,5)11-17-13(2)3/h7-10,13,17H,6,11-12H2,1-5H3
InChIKeySSNVJMUVAZSZFG-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-tert-butylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79626396
2,2-dimethyl-3-naphthalen-2-yloxy-N-propan-2-ylpropan-1-amine
CID 79626422
3-(3-tert-butylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79628807
2-methyl-1-[4-[(propan-2-ylamino)methyl]phenoxy]butan-2-ol
CID 114491574
2,2-dimethyl-N-propan-2-yl-3-(2-propoxyphenoxy)propan-1-amine
CID 79627722
2,2-dimethyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
CID 116803505
N-[2-(4-ethylphenoxy)ethyl]butan-2-amine
CID 54802109
3-[(4-bromophenyl)methoxy]-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 82831932
N-[[2-[(4-ethylphenoxy)methyl]phenyl]methyl]propan-2-amine
CID 63496796
N-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62295710
N-[[5-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 62452453
2,2-dimethyl-3-(4-methylphenoxy)-N-(2-methylpropyl)propan-1-amine
CID 79627194

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(4-ethylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine (CID 79626545) is 3-(4-ethylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(4-ethylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(4-ethylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine is CCc1ccc(OCC(C)(C)CNC(C)C)cc1.
What is the InChIKey of 3-(4-ethylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine?
The InChIKey is SSNVJMUVAZSZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-14-7-9-15(10-8-14)18-12-16(4,5)11-17-13(2)3/h7-10,13,17H,6,11-12H2,1-5H3.
What are the key properties of 3-(4-ethylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine?
3-(4-ethylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 79626545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).