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

C17H29NO — CID 103031318

IUPAC1-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
SMILESCCNC(CCC(C)(C)OC)c1cc(C)cc(C)c1
InChIInChI=1S/C17H29NO/c1-7-18-16(8-9-17(4,5)19-6)15-11-13(2)10-14(3)12-15/h10-12,16,18H,7-9H2,1-6H3
InChIKeyLQGAEOXKAQTORT-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.16
Rot. Bonds7

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

1-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine (PubChem CID 103031318) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
PubChem CID103031318
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name1-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
SMILESCCNC(CCC(C)(C)OC)c1cc(C)cc(C)c1
InChIInChI=1S/C17H29NO/c1-7-18-16(8-9-17(4,5)19-6)15-11-13(2)10-14(3)12-15/h10-12,16,18H,7-9H2,1-6H3
InChIKeyLQGAEOXKAQTORT-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-5-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031415
1-(3,5-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031317
1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031551
N-ethyl-1-(4-ethylsulfanylphenyl)-4-methoxy-4-methylpentan-1-amine
CID 106849061
1-(3-chloro-5-methylphenyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103031602
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031765
1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103032151
3-cyclopentyl-1-(3,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 115796908
1-(5-bromofuran-2-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031302
4-methoxy-1-(4-methoxy-3-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 103035971
1-(2-bromo-4-chlorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 107995834
1-(3,5-dimethylphenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105097119

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine (CID 103031318) is 1-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine is CCNC(CCC(C)(C)OC)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The InChIKey is LQGAEOXKAQTORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-7-18-16(8-9-17(4,5)19-6)15-11-13(2)10-14(3)12-15/h10-12,16,18H,7-9H2,1-6H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
1-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine has a molecular weight of 263.42 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 103031318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).