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

C18H31NO — CID 83057136

IUPAC2-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-N-methylhexan-1-amine
SMILESCCCCC(CC)C(NC)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C18H31NO/c1-7-9-10-15(8-2)17(19-5)16-11-13(3)18(20-6)14(4)12-16/h11-12,15,17,19H,7-10H2,1-6H3
InChIKeyBMTOMIRDLDSXJQ-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.79
Rot. Bonds8

About 2-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-N-methylhexan-1-amine

2-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-N-methylhexan-1-amine (PubChem CID 83057136) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-N-methylhexan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-N-methylhexan-1-amine
PubChem CID83057136
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-N-methylhexan-1-amine
SMILESCCCCC(CC)C(NC)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C18H31NO/c1-7-9-10-15(8-2)17(19-5)16-11-13(3)18(20-6)14(4)12-16/h11-12,15,17,19H,7-10H2,1-6H3
InChIKeyBMTOMIRDLDSXJQ-UHFFFAOYSA-N
XLogP4.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine
CID 43487417
1-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 83056847
1-(3,4-dichlorophenyl)-2-ethyl-N-methylhexan-1-amine
CID 43486466
2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylhexan-1-amine
CID 62868133
1-(4-methoxy-3,5-dimethylphenyl)-N,2,2-trimethylbutan-1-amine
CID 83056918
2-ethyl-N-methyl-1-(2-methylnaphthalen-1-yl)hexan-1-amine
CID 81430727
[2-ethyl-1-(4-methoxy-2,5-dimethylphenyl)hexyl]hydrazine
CID 105332979
2-ethyl-1-(2-fluoro-3-methoxyphenyl)-N-methylhexan-1-amine
CID 105024920
1-(2,5-dibromophenyl)-2-ethyl-N-methylhexan-1-amine
CID 43482220
1-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine
CID 115797109
5-(1-bromobutyl)-2-methoxy-1,3-dimethylbenzene
CID 83067846
(1S)-1-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 97293367

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-N-methylhexan-1-amine?
The IUPAC name of 2-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-N-methylhexan-1-amine (CID 83057136) is 2-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-N-methylhexan-1-amine.
What is the SMILES notation for 2-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-N-methylhexan-1-amine?
The canonical SMILES for 2-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-N-methylhexan-1-amine is CCCCC(CC)C(NC)c1cc(C)c(OC)c(C)c1.
What is the InChIKey of 2-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-N-methylhexan-1-amine?
The InChIKey is BMTOMIRDLDSXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-7-9-10-15(8-2)17(19-5)16-11-13(3)18(20-6)14(4)12-16/h11-12,15,17,19H,7-10H2,1-6H3.
What are the key properties of 2-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-N-methylhexan-1-amine?
2-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-N-methylhexan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-N-methylhexan-1-amine is sourced from PubChem (CID 83057136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).