N-ethyl-3-methoxy-3-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine

C18H31NO — CID 116757856

IUPACN-ethyl-3-methoxy-3-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
SMILESCCNC(Cc1c(C)cc(C)cc1C)C(C)(CC)OC
InChIInChI=1S/C18H31NO/c1-8-18(6,20-7)17(19-9-2)12-16-14(4)10-13(3)11-15(16)5/h10-11,17,19H,8-9,12H2,1-7H3
InChIKeyIXLCJWLTCSQZDN-UHFFFAOYSA-N
MW277.45 g/mol
LogP3.95
Rot. Bonds7

About N-ethyl-3-methoxy-3-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine

N-ethyl-3-methoxy-3-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine (PubChem CID 116757856) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-ethyl-3-methoxy-3-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-3-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
PubChem CID116757856
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-ethyl-3-methoxy-3-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
SMILESCCNC(Cc1c(C)cc(C)cc1C)C(C)(CC)OC
InChIInChI=1S/C18H31NO/c1-8-18(6,20-7)17(19-9-2)12-16-14(4)10-13(3)11-15(16)5/h10-11,17,19H,8-9,12H2,1-7H3
InChIKeyIXLCJWLTCSQZDN-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-ethyl-3-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 116726736
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine
CID 116757879
1-(2,5-dimethylphenyl)-3-methoxy-3-methyl-N-propylpentan-2-amine
CID 116758355
1-(3-bromo-4-fluorophenyl)-N-ethyl-3-methoxy-3-methylpentan-2-amine
CID 116757954
4-methoxy-N,4-dimethyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 103025022
1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine
CID 116757961
[1,1,1-trifluoro-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine
CID 105215820
N-ethyl-3-methoxy-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
CID 116758057
N-ethyl-3-methoxy-3-methyl-1-quinolin-2-ylpentan-2-amine
CID 116758103
3-methoxy-3-methyl-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116758206
3-ethoxy-N-ethyl-3-methyl-1-(4-methylphenyl)pentan-2-amine
CID 116759088
N-ethyl-3-methoxy-3-methyl-1-quinolin-4-ylpentan-2-amine
CID 116757907

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-3-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine?
The IUPAC name of N-ethyl-3-methoxy-3-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine (CID 116757856) is N-ethyl-3-methoxy-3-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine.
What is the SMILES notation for N-ethyl-3-methoxy-3-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine?
The canonical SMILES for N-ethyl-3-methoxy-3-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine is CCNC(Cc1c(C)cc(C)cc1C)C(C)(CC)OC.
What is the InChIKey of N-ethyl-3-methoxy-3-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine?
The InChIKey is IXLCJWLTCSQZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-8-18(6,20-7)17(19-9-2)12-16-14(4)10-13(3)11-15(16)5/h10-11,17,19H,8-9,12H2,1-7H3.
What are the key properties of N-ethyl-3-methoxy-3-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine?
N-ethyl-3-methoxy-3-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine has a molecular weight of 277.45 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-3-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine is sourced from PubChem (CID 116757856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).