1-(3,4-dimethylphenyl)-4-ethoxy-N-propylbutan-1-amine

C17H29NO — CID 105140388

IUPAC1-(3,4-dimethylphenyl)-4-ethoxy-N-propylbutan-1-amine
SMILESCCCNC(CCCOCC)c1ccc(C)c(C)c1
InChIInChI=1S/C17H29NO/c1-5-11-18-17(8-7-12-19-6-2)16-10-9-14(3)15(4)13-16/h9-10,13,17-18H,5-8,11-12H2,1-4H3
InChIKeyMUBCBFWXKZFTEY-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.16
Rot. Bonds9

About 1-(3,4-dimethylphenyl)-4-ethoxy-N-propylbutan-1-amine

1-(3,4-dimethylphenyl)-4-ethoxy-N-propylbutan-1-amine (PubChem CID 105140388) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-ethoxy-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-4-ethoxy-N-propylbutan-1-amine
PubChem CID105140388
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name1-(3,4-dimethylphenyl)-4-ethoxy-N-propylbutan-1-amine
SMILESCCCNC(CCCOCC)c1ccc(C)c(C)c1
InChIInChI=1S/C17H29NO/c1-5-11-18-17(8-7-12-19-6-2)16-10-9-14(3)15(4)13-16/h9-10,13,17-18H,5-8,11-12H2,1-4H3
InChIKeyMUBCBFWXKZFTEY-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-1-(4-propan-2-ylphenyl)-N-propylbutan-1-amine
CID 105144890
4-ethoxy-1-(3-ethylphenyl)-N-propylbutan-1-amine
CID 105171242
4-ethoxy-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 105146367
1-(3,4-dimethylphenyl)-4-methyl-N-propylpentan-1-amine
CID 43493981
1-(4-chloro-3-methylphenyl)-4-methoxy-N-propylbutan-1-amine
CID 105054934
4-ethoxy-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 105141501
4-ethoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-propylbutan-1-amine
CID 106682449
1-(3,4-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine
CID 105140268
1-(3,4-dimethoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine
CID 105141191
1-(3-methoxy-4-methylphenyl)-N-propyloctan-1-amine
CID 115832136
4-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylbutan-1-amine
CID 106883923
1-(4-chloro-3-methylphenyl)-N-propylheptan-1-amine
CID 115833499

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4-ethoxy-N-propylbutan-1-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-4-ethoxy-N-propylbutan-1-amine (CID 105140388) is 1-(3,4-dimethylphenyl)-4-ethoxy-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-4-ethoxy-N-propylbutan-1-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-4-ethoxy-N-propylbutan-1-amine is CCCNC(CCCOCC)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-4-ethoxy-N-propylbutan-1-amine?
The InChIKey is MUBCBFWXKZFTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-11-18-17(8-7-12-19-6-2)16-10-9-14(3)15(4)13-16/h9-10,13,17-18H,5-8,11-12H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-4-ethoxy-N-propylbutan-1-amine?
1-(3,4-dimethylphenyl)-4-ethoxy-N-propylbutan-1-amine has a molecular weight of 263.42 g/mol, XLogP of 4.16, 9 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-ethoxy-N-propylbutan-1-amine is sourced from PubChem (CID 105140388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).