2-(3-butyl-4-methylphenyl)-N-ethyl-N-methylethanamine

C16H27N — CID 170050351

IUPAC2-(3-butyl-4-methylphenyl)-N-ethyl-N-methylethanamine
SMILESCCCCc1cc(CCN(C)CC)ccc1C
InChIInChI=1S/C16H27N/c1-5-7-8-16-13-15(10-9-14(16)3)11-12-17(4)6-2/h9-10,13H,5-8,11-12H2,1-4H3
InChIKeyVTEWOXBKLXSLMZ-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.83
Rot. Bonds7

About 2-(3-butyl-4-methylphenyl)-N-ethyl-N-methylethanamine

2-(3-butyl-4-methylphenyl)-N-ethyl-N-methylethanamine (PubChem CID 170050351) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 2-(3-butyl-4-methylphenyl)-N-ethyl-N-methylethanamine.

Molecular Properties

Compound Name2-(3-butyl-4-methylphenyl)-N-ethyl-N-methylethanamine
PubChem CID170050351
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name2-(3-butyl-4-methylphenyl)-N-ethyl-N-methylethanamine
SMILESCCCCc1cc(CCN(C)CC)ccc1C
InChIInChI=1S/C16H27N/c1-5-7-8-16-13-15(10-9-14(16)3)11-12-17(4)6-2/h9-10,13H,5-8,11-12H2,1-4H3
InChIKeyVTEWOXBKLXSLMZ-UHFFFAOYSA-N
XLogP3.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-4-methylphenyl)-N-ethyl-N-methylethanamine?
The IUPAC name of 2-(3-butyl-4-methylphenyl)-N-ethyl-N-methylethanamine (CID 170050351) is 2-(3-butyl-4-methylphenyl)-N-ethyl-N-methylethanamine.
What is the SMILES notation for 2-(3-butyl-4-methylphenyl)-N-ethyl-N-methylethanamine?
The canonical SMILES for 2-(3-butyl-4-methylphenyl)-N-ethyl-N-methylethanamine is CCCCc1cc(CCN(C)CC)ccc1C.
What is the InChIKey of 2-(3-butyl-4-methylphenyl)-N-ethyl-N-methylethanamine?
The InChIKey is VTEWOXBKLXSLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-7-8-16-13-15(10-9-14(16)3)11-12-17(4)6-2/h9-10,13H,5-8,11-12H2,1-4H3.
What are the key properties of 2-(3-butyl-4-methylphenyl)-N-ethyl-N-methylethanamine?
2-(3-butyl-4-methylphenyl)-N-ethyl-N-methylethanamine has a molecular weight of 233.40 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-4-methylphenyl)-N-ethyl-N-methylethanamine is sourced from PubChem (CID 170050351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).