1-(4-ethoxyphenyl)-N,2-dimethylpropan-2-amine

C13H21NO — CID 94681273

IUPAC1-(4-ethoxyphenyl)-N,2-dimethylpropan-2-amine
SMILESCCOc1ccc(CC(C)(C)NC)cc1
InChIInChI=1S/C13H21NO/c1-5-15-12-8-6-11(7-9-12)10-13(2,3)14-4/h6-9,14H,5,10H2,1-4H3
InChIKeyPYPAOTWOGGJKLK-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.63
Rot. Bonds5

About 1-(4-ethoxyphenyl)-N,2-dimethylpropan-2-amine

1-(4-ethoxyphenyl)-N,2-dimethylpropan-2-amine (PubChem CID 94681273) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N,2-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N,2-dimethylpropan-2-amine
PubChem CID94681273
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(4-ethoxyphenyl)-N,2-dimethylpropan-2-amine
SMILESCCOc1ccc(CC(C)(C)NC)cc1
InChIInChI=1S/C13H21NO/c1-5-15-12-8-6-11(7-9-12)10-13(2,3)14-4/h6-9,14H,5,10H2,1-4H3
InChIKeyPYPAOTWOGGJKLK-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-1-(4-propoxyphenyl)propan-2-amine
CID 95444836
N-[(4-ethoxyphenyl)methyl]-2-methylbutan-2-amine
CID 17206624
1-N-[2-(4-ethoxyphenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115222522
methyl 3-(4-ethoxyphenyl)-2,2-dimethylpropanoate
CID 116927544
2-[(4-ethoxyphenyl)methyl]-2-ethylbutan-1-amine
CID 82111067
1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 170995213
2-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-2-amine
CID 63273223
1-(2,2-dimethylpropoxy)-4-ethoxybenzene
CID 170603637
1-ethoxy-4-[(4-ethoxyphenyl)methoxymethyl]benzene
CID 123874930
1-[(2S)-2-benzyl-2,3-dimethylbut-3-enyl]-4-ethoxybenzene
CID 142249658
1-ethoxy-4-[(4-propoxyphenyl)methyl]benzene
CID 21338136
3-(4-ethoxyphenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
CID 84752096

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N,2-dimethylpropan-2-amine?
The IUPAC name of 1-(4-ethoxyphenyl)-N,2-dimethylpropan-2-amine (CID 94681273) is 1-(4-ethoxyphenyl)-N,2-dimethylpropan-2-amine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N,2-dimethylpropan-2-amine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N,2-dimethylpropan-2-amine is CCOc1ccc(CC(C)(C)NC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N,2-dimethylpropan-2-amine?
The InChIKey is PYPAOTWOGGJKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-15-12-8-6-11(7-9-12)10-13(2,3)14-4/h6-9,14H,5,10H2,1-4H3.
What are the key properties of 1-(4-ethoxyphenyl)-N,2-dimethylpropan-2-amine?
1-(4-ethoxyphenyl)-N,2-dimethylpropan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N,2-dimethylpropan-2-amine is sourced from PubChem (CID 94681273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).