2-(3,4-dimethylphenyl)-N-ethyl-2-propylpentan-1-amine

C18H31N — CID 63511272

IUPAC2-(3,4-dimethylphenyl)-N-ethyl-2-propylpentan-1-amine
SMILESCCCC(CCC)(CNCC)c1ccc(C)c(C)c1
InChIInChI=1S/C18H31N/c1-6-11-18(12-7-2,14-19-8-3)17-10-9-15(4)16(5)13-17/h9-10,13,19H,6-8,11-12,14H2,1-5H3
InChIKeyOIABJERRQIBLSX-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.75
Rot. Bonds8

About 2-(3,4-dimethylphenyl)-N-ethyl-2-propylpentan-1-amine

2-(3,4-dimethylphenyl)-N-ethyl-2-propylpentan-1-amine (PubChem CID 63511272) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-ethyl-2-propylpentan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-ethyl-2-propylpentan-1-amine
PubChem CID63511272
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name2-(3,4-dimethylphenyl)-N-ethyl-2-propylpentan-1-amine
SMILESCCCC(CCC)(CNCC)c1ccc(C)c(C)c1
InChIInChI=1S/C18H31N/c1-6-11-18(12-7-2,14-19-8-3)17-10-9-15(4)16(5)13-17/h9-10,13,19H,6-8,11-12,14H2,1-5H3
InChIKeyOIABJERRQIBLSX-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-ethyl-2-propylpentan-1-amine?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-ethyl-2-propylpentan-1-amine (CID 63511272) is 2-(3,4-dimethylphenyl)-N-ethyl-2-propylpentan-1-amine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-ethyl-2-propylpentan-1-amine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-ethyl-2-propylpentan-1-amine is CCCC(CCC)(CNCC)c1ccc(C)c(C)c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-ethyl-2-propylpentan-1-amine?
The InChIKey is OIABJERRQIBLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-6-11-18(12-7-2,14-19-8-3)17-10-9-15(4)16(5)13-17/h9-10,13,19H,6-8,11-12,14H2,1-5H3.
What are the key properties of 2-(3,4-dimethylphenyl)-N-ethyl-2-propylpentan-1-amine?
2-(3,4-dimethylphenyl)-N-ethyl-2-propylpentan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-ethyl-2-propylpentan-1-amine is sourced from PubChem (CID 63511272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).