N-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethylbutan-1-amine

C17H29NO — CID 83057067

IUPACN-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethylbutan-1-amine
SMILESCCNC(CC(C)(C)C)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C17H29NO/c1-8-18-15(11-17(4,5)6)14-9-12(2)16(19-7)13(3)10-14/h9-10,15,18H,8,11H2,1-7H3
InChIKeyCCFCVBPCKMMTCA-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.40
Rot. Bonds5

About N-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethylbutan-1-amine

N-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethylbutan-1-amine (PubChem CID 83057067) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethylbutan-1-amine
PubChem CID83057067
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethylbutan-1-amine
SMILESCCNC(CC(C)(C)C)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C17H29NO/c1-8-18-15(11-17(4,5)6)14-9-12(2)16(19-7)13(3)10-14/h9-10,15,18H,8,11H2,1-7H3
InChIKeyCCFCVBPCKMMTCA-UHFFFAOYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 43487984
N-ethyl-2,2,2-trifluoro-1-(4-methoxy-3,5-dimethylphenyl)ethanamine
CID 83057070
N-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 83045309
1-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 83056847
N-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine
CID 43491139
1-(4-methoxy-3,5-dimethylphenyl)-N,3,3-trimethylbutane-1,4-diamine
CID 116950143
1-(4-methoxy-3,5-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine
CID 83056700
1-(4-bromophenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 43488677
2-(4-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanol
CID 116859297
1-(4-methoxy-3,5-dimethylphenyl)-N,2,2-trimethylbutan-1-amine
CID 83056918
1-(4-bromo-2,5-dimethoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 105056823
1-(3-chlorophenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 63891305

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethylbutan-1-amine?
The IUPAC name of N-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethylbutan-1-amine (CID 83057067) is N-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethylbutan-1-amine is CCNC(CC(C)(C)C)c1cc(C)c(OC)c(C)c1.
What is the InChIKey of N-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethylbutan-1-amine?
The InChIKey is CCFCVBPCKMMTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-8-18-15(11-17(4,5)6)14-9-12(2)16(19-7)13(3)10-14/h9-10,15,18H,8,11H2,1-7H3.
What are the key properties of N-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethylbutan-1-amine?
N-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethylbutan-1-amine has a molecular weight of 263.42 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 83057067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).