1-(3,5-dimethylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine

C17H29NO — CID 105096998

IUPAC1-(3,5-dimethylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)COC)c1cc(C)cc(C)c1
InChIInChI=1S/C17H29NO/c1-6-7-18-17(11-15(4)12-19-5)16-9-13(2)8-14(3)10-16/h8-10,15,17-18H,6-7,11-12H2,1-5H3
InChIKeyCTPCLGXWUGPWKO-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.02
Rot. Bonds8

About 1-(3,5-dimethylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine

1-(3,5-dimethylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine (PubChem CID 105096998) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
PubChem CID105096998
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-(3,5-dimethylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)COC)c1cc(C)cc(C)c1
InChIInChI=1S/C17H29NO/c1-6-7-18-17(11-15(4)12-19-5)16-9-13(2)8-14(3)10-16/h8-10,15,17-18H,6-7,11-12H2,1-5H3
InChIKeyCTPCLGXWUGPWKO-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,5-dimethylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-dimethylphenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
CID 102928611
4-methoxy-1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-1-amine
CID 105144070
1-(5-fluoro-3-pyridinyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105102311
1-(3,5-dimethylphenyl)-4-methyl-N-propylpentan-1-amine
CID 63417237
1-(5-fluoro-2-methylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105142446
1-(4-fluoro-2-methylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105142781
5-methoxy-4-methyl-N-propylpentan-2-amine
CID 79569722
1-(3,5-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105168340
1-(3,5-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031317
1-(2,4-difluorophenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105143692
1-(3,5-dimethylphenyl)-N-propyloctan-1-amine
CID 115796817
1-(4-bromo-3,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine
CID 114330805

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine (CID 105096998) is 1-(3,5-dimethylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine is CCCNC(CC(C)COC)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine?
The InChIKey is CTPCLGXWUGPWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-7-18-17(11-15(4)12-19-5)16-9-13(2)8-14(3)10-16/h8-10,15,17-18H,6-7,11-12H2,1-5H3.
What are the key properties of 1-(3,5-dimethylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine?
1-(3,5-dimethylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 105096998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).