1-(3,4-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine

C17H29NO — CID 105140268

IUPAC1-(3,4-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)OC)c1ccc(C)c(C)c1
InChIInChI=1S/C17H29NO/c1-6-11-18-17(10-8-15(4)19-5)16-9-7-13(2)14(3)12-16/h7,9,12,15,17-18H,6,8,10-11H2,1-5H3
InChIKeyRTFFOEPXDYNFCG-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.16
Rot. Bonds8

About 1-(3,4-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine

1-(3,4-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine (PubChem CID 105140268) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine
PubChem CID105140268
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name1-(3,4-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)OC)c1ccc(C)c(C)c1
InChIInChI=1S/C17H29NO/c1-6-11-18-17(10-8-15(4)19-5)16-9-7-13(2)14(3)12-16/h7,9,12,15,17-18H,6,8,10-11H2,1-5H3
InChIKeyRTFFOEPXDYNFCG-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

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

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Related Compounds

1-(3,4-dimethylphenyl)-4-methyl-N-propylpentan-1-amine
CID 43493981
4-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 105144793
1-(2,5-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine
CID 105120183
1-(3-ethoxyphenyl)-4-methoxy-N-propylpentan-1-amine
CID 105173198
4-methoxy-1-[3-(2-methylpropyl)phenyl]-N-propylpentan-1-amine
CID 105188062
1-(4-fluoro-3-methylphenyl)-3-methoxy-N-propylbutan-1-amine
CID 113391484
1-(3,4-dimethylphenyl)-4-ethoxy-N-propylbutan-1-amine
CID 105140388
1-(3-fluoro-4-methylphenyl)-3-methoxy-N-propylbutan-1-amine
CID 107129130
1-(4-fluoro-3-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 63413988
methyl 3-(3,4-dimethylphenyl)-3-(propylamino)propanoate
CID 65235819
1-(3,4-dimethylphenyl)-4-methoxypentan-1-amine
CID 105140365
1-(4-methoxy-3-methylphenyl)-N-propylpropan-1-amine
CID 43498177

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine (CID 105140268) is 1-(3,4-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine is CCCNC(CCC(C)OC)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine?
The InChIKey is RTFFOEPXDYNFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-11-18-17(10-8-15(4)19-5)16-9-7-13(2)14(3)12-16/h7,9,12,15,17-18H,6,8,10-11H2,1-5H3.
What are the key properties of 1-(3,4-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine?
1-(3,4-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine has a molecular weight of 263.42 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine is sourced from PubChem (CID 105140268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).