N-ethyl-3-methyl-3-(4-propan-2-ylphenyl)butan-1-amine

C16H27N — CID 79830405

IUPACN-ethyl-3-methyl-3-(4-propan-2-ylphenyl)butan-1-amine
SMILESCCNCCC(C)(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H27N/c1-6-17-12-11-16(4,5)15-9-7-14(8-10-15)13(2)3/h7-10,13,17H,6,11-12H2,1-5H3
InChIKeyMIEHBZHQJNHMOI-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.09
Rot. Bonds6

About N-ethyl-3-methyl-3-(4-propan-2-ylphenyl)butan-1-amine

N-ethyl-3-methyl-3-(4-propan-2-ylphenyl)butan-1-amine (PubChem CID 79830405) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-ethyl-3-methyl-3-(4-propan-2-ylphenyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-3-(4-propan-2-ylphenyl)butan-1-amine
PubChem CID79830405
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-ethyl-3-methyl-3-(4-propan-2-ylphenyl)butan-1-amine
SMILESCCNCCC(C)(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H27N/c1-6-17-12-11-16(4,5)15-9-7-14(8-10-15)13(2)3/h7-10,13,17H,6,11-12H2,1-5H3
InChIKeyMIEHBZHQJNHMOI-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(4-iodophenyl)-3-methylbutan-1-amine
CID 79830111
N-ethyl-3-(4-fluorophenyl)-3-methylbutan-1-amine
CID 79830560
3-(4-bromophenyl)-N-ethyl-3-methylbutan-1-amine
CID 79829851
N-ethyl-4-methyl-4-(4-propan-2-ylphenyl)pentan-2-amine
CID 64716808
1-(4-bromo-2-methylbutan-2-yl)-4-propan-2-ylbenzene
CID 79837730
N-ethyl-2-(4-propan-2-ylphenyl)-2-propylpentan-1-amine
CID 63511266
N-ethyl-2,2-difluoro-2-(4-propan-2-ylphenyl)ethanamine
CID 83108104
3-(4-iodophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79830112
3-[[2-methyl-2-(4-propan-2-ylphenyl)propyl]amino]propane-1-thiol
CID 115225311
3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-methylbutan-1-amine
CID 79830298
3-[2,4-di(propan-2-yl)phenyl]-3-methyl-N-propylbutan-1-amine
CID 79836887
N-ethyl-3,3-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine
CID 66260373

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-3-(4-propan-2-ylphenyl)butan-1-amine?
The IUPAC name of N-ethyl-3-methyl-3-(4-propan-2-ylphenyl)butan-1-amine (CID 79830405) is N-ethyl-3-methyl-3-(4-propan-2-ylphenyl)butan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-3-(4-propan-2-ylphenyl)butan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-3-(4-propan-2-ylphenyl)butan-1-amine is CCNCCC(C)(C)c1ccc(C(C)C)cc1.
What is the InChIKey of N-ethyl-3-methyl-3-(4-propan-2-ylphenyl)butan-1-amine?
The InChIKey is MIEHBZHQJNHMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-6-17-12-11-16(4,5)15-9-7-14(8-10-15)13(2)3/h7-10,13,17H,6,11-12H2,1-5H3.
What are the key properties of N-ethyl-3-methyl-3-(4-propan-2-ylphenyl)butan-1-amine?
N-ethyl-3-methyl-3-(4-propan-2-ylphenyl)butan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-3-(4-propan-2-ylphenyl)butan-1-amine is sourced from PubChem (CID 79830405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).