1-(2,4-dimethylphenyl)-N-ethyl-4-methoxypentan-1-amine

C16H27NO — CID 105145249

IUPAC1-(2,4-dimethylphenyl)-N-ethyl-4-methoxypentan-1-amine
SMILESCCNC(CCC(C)OC)c1ccc(C)cc1C
InChIInChI=1S/C16H27NO/c1-6-17-16(10-8-14(4)18-5)15-9-7-12(2)11-13(15)3/h7,9,11,14,16-17H,6,8,10H2,1-5H3
InChIKeyICLRGJOPHHIUHV-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.77
Rot. Bonds7

About 1-(2,4-dimethylphenyl)-N-ethyl-4-methoxypentan-1-amine

1-(2,4-dimethylphenyl)-N-ethyl-4-methoxypentan-1-amine (PubChem CID 105145249) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-ethyl-4-methoxypentan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-ethyl-4-methoxypentan-1-amine
PubChem CID105145249
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(2,4-dimethylphenyl)-N-ethyl-4-methoxypentan-1-amine
SMILESCCNC(CCC(C)OC)c1ccc(C)cc1C
InChIInChI=1S/C16H27NO/c1-6-17-16(10-8-14(4)18-5)15-9-7-12(2)11-13(15)3/h7,9,11,14,16-17H,6,8,10H2,1-5H3
InChIKeyICLRGJOPHHIUHV-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine
CID 105120183
1-(2,4-dimethylphenyl)-4-methoxypentan-1-amine
CID 105145329
N-ethyl-4-methoxy-1-(2-methylthiophen-3-yl)pentan-1-amine
CID 102840306
1-(2,4-dimethylphenyl)-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447398
1-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylpentoxy)ethanamine
CID 63475815
1-(2,4-dimethylphenyl)-N,3-diethylpentan-1-amine
CID 105028376
1-(2,5-dimethylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43490798
1-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylphenoxy)ethanamine
CID 63474182
2-butan-2-ylsulfonyl-1-(2,4-dimethylphenyl)-N-ethylethanamine
CID 64644890
1-(2,4-dimethylphenyl)-N-ethyl-2-ethylsulfonylethanamine
CID 64647574
1-(2,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 43490017
N-ethyl-1-(2-methoxy-5-methylphenyl)-4-methylpentan-1-amine
CID 43626298

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-ethyl-4-methoxypentan-1-amine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-ethyl-4-methoxypentan-1-amine (CID 105145249) is 1-(2,4-dimethylphenyl)-N-ethyl-4-methoxypentan-1-amine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-ethyl-4-methoxypentan-1-amine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-ethyl-4-methoxypentan-1-amine is CCNC(CCC(C)OC)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-ethyl-4-methoxypentan-1-amine?
The InChIKey is ICLRGJOPHHIUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-17-16(10-8-14(4)18-5)15-9-7-12(2)11-13(15)3/h7,9,11,14,16-17H,6,8,10H2,1-5H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-ethyl-4-methoxypentan-1-amine?
1-(2,4-dimethylphenyl)-N-ethyl-4-methoxypentan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-ethyl-4-methoxypentan-1-amine is sourced from PubChem (CID 105145249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).