N-ethyl-3-(3-ethylphenoxy)-2,2-dimethylpropan-1-amine

C15H25NO — CID 79627888

IUPACN-ethyl-3-(3-ethylphenoxy)-2,2-dimethylpropan-1-amine
SMILESCCNCC(C)(C)COc1cccc(CC)c1
InChIInChI=1S/C15H25NO/c1-5-13-8-7-9-14(10-13)17-12-15(3,4)11-16-6-2/h7-10,16H,5-6,11-12H2,1-4H3
InChIKeyQTPHRPKWYYYUOA-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.26
Rot. Bonds7

About N-ethyl-3-(3-ethylphenoxy)-2,2-dimethylpropan-1-amine

N-ethyl-3-(3-ethylphenoxy)-2,2-dimethylpropan-1-amine (PubChem CID 79627888) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-ethyl-3-(3-ethylphenoxy)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(3-ethylphenoxy)-2,2-dimethylpropan-1-amine
PubChem CID79627888
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-ethyl-3-(3-ethylphenoxy)-2,2-dimethylpropan-1-amine
SMILESCCNCC(C)(C)COc1cccc(CC)c1
InChIInChI=1S/C15H25NO/c1-5-13-8-7-9-14(10-13)17-12-15(3,4)11-16-6-2/h7-10,16H,5-6,11-12H2,1-4H3
InChIKeyQTPHRPKWYYYUOA-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3-ethylphenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79628392
3-(4-chloro-3-fluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 82727591
N-tert-butyl-3-(3-ethoxyphenoxy)-2,2-dimethylpropan-1-amine
CID 79621302
N-ethyl-2,2-dimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine
CID 79626547
1-[2-(bromomethyl)-2-ethylbutoxy]-3-ethylbenzene
CID 64998790
N-ethyl-2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 79621726
N-ethyl-3-(2-ethylphenoxy)-2,2-dimethylpropan-1-amine
CID 79627245
3-[[2-(3-ethylphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid
CID 115427019
N-ethyl-2,2-dimethyl-3-(2-methylphenoxy)propan-1-amine
CID 79626871
1-[2-(3-ethylphenoxy)ethoxy]-2-methylpropan-2-amine
CID 82354124
N-[[6-(3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62296868
3-(2-tert-butylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 79628769

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-ethylphenoxy)-2,2-dimethylpropan-1-amine?
The IUPAC name of N-ethyl-3-(3-ethylphenoxy)-2,2-dimethylpropan-1-amine (CID 79627888) is N-ethyl-3-(3-ethylphenoxy)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-(3-ethylphenoxy)-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-ethyl-3-(3-ethylphenoxy)-2,2-dimethylpropan-1-amine is CCNCC(C)(C)COc1cccc(CC)c1.
What is the InChIKey of N-ethyl-3-(3-ethylphenoxy)-2,2-dimethylpropan-1-amine?
The InChIKey is QTPHRPKWYYYUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-13-8-7-9-14(10-13)17-12-15(3,4)11-16-6-2/h7-10,16H,5-6,11-12H2,1-4H3.
What are the key properties of N-ethyl-3-(3-ethylphenoxy)-2,2-dimethylpropan-1-amine?
N-ethyl-3-(3-ethylphenoxy)-2,2-dimethylpropan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-ethylphenoxy)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 79627888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).