1-(4-ethylphenyl)-N-methyl-3-propan-2-yloxypropan-2-amine

C15H25NO — CID 105101340

IUPAC1-(4-ethylphenyl)-N-methyl-3-propan-2-yloxypropan-2-amine
SMILESCCc1ccc(CC(COC(C)C)NC)cc1
InChIInChI=1S/C15H25NO/c1-5-13-6-8-14(9-7-13)10-15(16-4)11-17-12(2)3/h6-9,12,15-16H,5,10-11H2,1-4H3
InChIKeyDOORBHZAFJKKST-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.80
Rot. Bonds7

About 1-(4-ethylphenyl)-N-methyl-3-propan-2-yloxypropan-2-amine

1-(4-ethylphenyl)-N-methyl-3-propan-2-yloxypropan-2-amine (PubChem CID 105101340) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-methyl-3-propan-2-yloxypropan-2-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-methyl-3-propan-2-yloxypropan-2-amine
PubChem CID105101340
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(4-ethylphenyl)-N-methyl-3-propan-2-yloxypropan-2-amine
SMILESCCc1ccc(CC(COC(C)C)NC)cc1
InChIInChI=1S/C15H25NO/c1-5-13-6-8-14(9-7-13)10-15(16-4)11-17-12(2)3/h6-9,12,15-16H,5,10-11H2,1-4H3
InChIKeyDOORBHZAFJKKST-UHFFFAOYSA-N
XLogP2.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-propan-2-yloxy-3-pyridin-4-ylpropan-2-amine
CID 79573917
N-methyl-1-propan-2-yloxy-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 105013128
1-(4-ethylphenyl)-3-propan-2-yloxypropan-2-amine
CID 105101467
1-(3-bromo-4-fluorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine
CID 105111283
N-ethyl-1-(4-iodophenyl)-3-propan-2-yloxypropan-2-amine
CID 105152021
1-(2,6-dichlorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine
CID 79574139
N-methyl-1-(4-methylphenyl)-4-propan-2-yloxybutan-2-amine
CID 55093955
4-(4-ethylphenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 113291267
1-cyclohexyl-3-(4-ethylphenyl)-N-methylpropan-2-amine
CID 115802880
1-(4-ethylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480542
1-propan-2-yloxy-N-propyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 105013266
1-(1,3-dioxolan-2-yl)-3-(4-ethylphenyl)-N-methylpropan-2-amine
CID 103546450

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-methyl-3-propan-2-yloxypropan-2-amine?
The IUPAC name of 1-(4-ethylphenyl)-N-methyl-3-propan-2-yloxypropan-2-amine (CID 105101340) is 1-(4-ethylphenyl)-N-methyl-3-propan-2-yloxypropan-2-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-methyl-3-propan-2-yloxypropan-2-amine?
The canonical SMILES for 1-(4-ethylphenyl)-N-methyl-3-propan-2-yloxypropan-2-amine is CCc1ccc(CC(COC(C)C)NC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-methyl-3-propan-2-yloxypropan-2-amine?
The InChIKey is DOORBHZAFJKKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-13-6-8-14(9-7-13)10-15(16-4)11-17-12(2)3/h6-9,12,15-16H,5,10-11H2,1-4H3.
What are the key properties of 1-(4-ethylphenyl)-N-methyl-3-propan-2-yloxypropan-2-amine?
1-(4-ethylphenyl)-N-methyl-3-propan-2-yloxypropan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-methyl-3-propan-2-yloxypropan-2-amine is sourced from PubChem (CID 105101340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).