2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine

C18H31NO — CID 66234272

IUPAC2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine
SMILESCCc1ccc(C(NC)C(C)OCCC(C)(C)C)cc1
InChIInChI=1S/C18H31NO/c1-7-15-8-10-16(11-9-15)17(19-6)14(2)20-13-12-18(3,4)5/h8-11,14,17,19H,7,12-13H2,1-6H3
InChIKeyZVTPHCVBRINCEA-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.35
Rot. Bonds7

About 2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine

2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine (PubChem CID 66234272) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine
PubChem CID66234272
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine
SMILESCCc1ccc(C(NC)C(C)OCCC(C)(C)C)cc1
InChIInChI=1S/C18H31NO/c1-7-15-8-10-16(11-9-15)17(19-6)14(2)20-13-12-18(3,4)5/h8-11,14,17,19H,7,12-13H2,1-6H3
InChIKeyZVTPHCVBRINCEA-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine
CID 66275433
2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine
CID 82004948
N-methyl-1-(4-methylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-amine
CID 82956623
2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylethanamine
CID 66234501
1-(4-ethylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948027
2-methoxy-N-methyl-1-(4-propylphenyl)propan-1-amine
CID 79617048
N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-amine
CID 112587403
1-(4-ethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103309571
1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 63982925
1-(4-ethylphenyl)-N-methyl-2-(3-methylphenoxy)propan-1-amine
CID 63473996
2-(3,3-dimethylbutoxy)-1-(4-methylphenyl)propan-1-ol
CID 66224938
[1-(4-ethylphenyl)-2-methoxy-3,3-dimethylbutyl]hydrazine
CID 105273555

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine (CID 66234272) is 2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine is CCc1ccc(C(NC)C(C)OCCC(C)(C)C)cc1.
What is the InChIKey of 2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine?
The InChIKey is ZVTPHCVBRINCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-7-15-8-10-16(11-9-15)17(19-6)14(2)20-13-12-18(3,4)5/h8-11,14,17,19H,7,12-13H2,1-6H3.
What are the key properties of 2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine?
2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 66234272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).