1-(2,5-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine

C17H29NO — CID 105120183

IUPAC1-(2,5-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)OC)c1cc(C)ccc1C
InChIInChI=1S/C17H29NO/c1-6-11-18-17(10-9-15(4)19-5)16-12-13(2)7-8-14(16)3/h7-8,12,15,17-18H,6,9-11H2,1-5H3
InChIKeyLHDJNLQNHGCRCB-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.16
Rot. Bonds8

About 1-(2,5-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine

1-(2,5-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine (PubChem CID 105120183) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine
PubChem CID105120183
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-(2,5-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)OC)c1cc(C)ccc1C
InChIInChI=1S/C17H29NO/c1-6-11-18-17(10-9-15(4)19-5)16-12-13(2)7-8-14(16)3/h7-8,12,15,17-18H,6,9-11H2,1-5H3
InChIKeyLHDJNLQNHGCRCB-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 ≤ 500263.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine
CID 105140268
1-(2,4-dimethylphenyl)-N-ethyl-4-methoxypentan-1-amine
CID 105145249
1-(2,5-dimethylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039435
1-(2,5-dimethylphenyl)-4-methoxypentan-1-ol
CID 105083992
1-(2,5-dimethylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43490798
4-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 105144793
4-methoxy-1-(2-propan-2-yloxyphenyl)-N-propylpentan-1-amine
CID 105170923
1-(2,5-dimethylphenyl)-N-ethyl-2-pentan-2-yloxyethanamine
CID 102981309
N-[2-(2,2-difluoroethoxy)-1-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 82004844
1-(3-ethoxyphenyl)-4-methoxy-N-propylpentan-1-amine
CID 105173198
4-methoxy-1-(2-propoxyphenyl)-N-propylpentan-1-amine
CID 105180730
1-(2,5-dimethylphenyl)-N-ethyl-3-propoxypropan-1-amine
CID 105120236

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine (CID 105120183) is 1-(2,5-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine is CCCNC(CCC(C)OC)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine?
The InChIKey is LHDJNLQNHGCRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-11-18-17(10-9-15(4)19-5)16-12-13(2)7-8-14(16)3/h7-8,12,15,17-18H,6,9-11H2,1-5H3.
What are the key properties of 1-(2,5-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine?
1-(2,5-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine has a molecular weight of 263.43 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-(2,5-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine is sourced from PubChem (CID 105120183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).