2-ethyl-N-methyl-2-phenylbutan-1-amine

C13H21N — CID 62596018

IUPAC2-ethyl-N-methyl-2-phenylbutan-1-amine
SMILESCCC(CC)(CNC)c1ccccc1
InChIInChI=1S/C13H21N/c1-4-13(5-2,11-14-3)12-9-7-6-8-10-12/h6-10,14H,4-5,11H2,1-3H3
InChIKeyIMYBKVITUPIPAX-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.96
Rot. Bonds5

About 2-ethyl-N-methyl-2-phenylbutan-1-amine

2-ethyl-N-methyl-2-phenylbutan-1-amine (PubChem CID 62596018) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2-ethyl-N-methyl-2-phenylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-2-phenylbutan-1-amine
PubChem CID62596018
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2-ethyl-N-methyl-2-phenylbutan-1-amine
SMILESCCC(CC)(CNC)c1ccccc1
InChIInChI=1S/C13H21N/c1-4-13(5-2,11-14-3)12-9-7-6-8-10-12/h6-10,14H,4-5,11H2,1-3H3
InChIKeyIMYBKVITUPIPAX-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(methylaminomethyl)-2-phenylbutan-1-ol
CID 13463568
2-(ethoxymethyl)-N-methyl-2-phenylbutan-1-amine
CID 103984577
2-ethyl-N-methyl-2,5-diphenylpentan-1-amine
CID 63508294
N-methyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine
CID 55107089
2-ethyl-2-phenyl-N-propylbutan-1-amine
CID 62596576
N-(2-ethyl-2-phenylbutyl)-2-(methylamino)acetamide
CID 119808350
2-[(3-fluorophenyl)methyl]-N-methyl-2-phenylbutan-1-amine
CID 62723869
2-ethyl-2-(4-methoxyphenyl)-N-methylbutan-1-amine
CID 62596783
N-(2-ethyl-2-phenylbutyl)-2-(methylamino)acetamide;hydrochloride
CID 119808349
2-ethyl-N-methyl-2-(2-methylphenyl)butan-1-amine
CID 62594187
2-ethyl-N-(2-methylpropyl)-2-phenylbutan-1-amine
CID 62594549
2-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine
CID 62595719

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-2-phenylbutan-1-amine?
The IUPAC name of 2-ethyl-N-methyl-2-phenylbutan-1-amine (CID 62596018) is 2-ethyl-N-methyl-2-phenylbutan-1-amine.
What is the SMILES notation for 2-ethyl-N-methyl-2-phenylbutan-1-amine?
The canonical SMILES for 2-ethyl-N-methyl-2-phenylbutan-1-amine is CCC(CC)(CNC)c1ccccc1.
What is the InChIKey of 2-ethyl-N-methyl-2-phenylbutan-1-amine?
The InChIKey is IMYBKVITUPIPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-4-13(5-2,11-14-3)12-9-7-6-8-10-12/h6-10,14H,4-5,11H2,1-3H3.
What are the key properties of 2-ethyl-N-methyl-2-phenylbutan-1-amine?
2-ethyl-N-methyl-2-phenylbutan-1-amine has a molecular weight of 191.32 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-2-phenylbutan-1-amine is sourced from PubChem (CID 62596018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).