N-[(4-ethylphenyl)methyl]-2-methylbut-3-yn-2-amine

C14H19N — CID 63997117

IUPACN-[(4-ethylphenyl)methyl]-2-methylbut-3-yn-2-amine
SMILESC#CC(C)(C)NCc1ccc(CC)cc1
InChIInChI=1S/C14H19N/c1-5-12-7-9-13(10-8-12)11-15-14(3,4)6-2/h2,7-10,15H,5,11H2,1,3-4H3
InChIKeyFHIVZFQEXKKSRM-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.75
Rot. Bonds4

About N-[(4-ethylphenyl)methyl]-2-methylbut-3-yn-2-amine

N-[(4-ethylphenyl)methyl]-2-methylbut-3-yn-2-amine (PubChem CID 63997117) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2-methylbut-3-yn-2-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2-methylbut-3-yn-2-amine
PubChem CID63997117
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC NameN-[(4-ethylphenyl)methyl]-2-methylbut-3-yn-2-amine
SMILESC#CC(C)(C)NCc1ccc(CC)cc1
InChIInChI=1S/C14H19N/c1-5-12-7-9-13(10-8-12)11-15-14(3,4)6-2/h2,7-10,15H,5,11H2,1,3-4H3
InChIKeyFHIVZFQEXKKSRM-UHFFFAOYSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethylphenyl)methyl]-2-methylbutan-2-amine
CID 17206654
2-methyl-N-(1H-pyrrol-3-ylmethyl)but-3-yn-2-amine
CID 66407241
N-[(1-ethylpyrrol-3-yl)methyl]-2-methylbut-3-yn-2-amine
CID 66415005
N-[(4-bromo-3-fluorophenyl)methyl]-2-methylbut-3-yn-2-amine
CID 81436932
N-[(3,5-difluorophenyl)methyl]-2-methylbut-3-yn-2-amine
CID 115978336
N-[(3,5-dichlorophenyl)methyl]-2-methylbut-3-yn-2-amine
CID 63996925
2-methyl-N-[(1-propylpyrrol-3-yl)methyl]but-3-yn-2-amine
CID 66415006
3-[(4-ethylphenyl)methylamino]-2,2-dimethylpropanenitrile
CID 104587185
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
2-[(4-ethylphenyl)methylamino]-2-methylbutanoic acid
CID 79801788
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylbut-3-yn-2-amine
CID 63999911
2-methyl-2-[(4-methylphenyl)methylamino]propanenitrile
CID 28702607

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2-methylbut-3-yn-2-amine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2-methylbut-3-yn-2-amine (CID 63997117) is N-[(4-ethylphenyl)methyl]-2-methylbut-3-yn-2-amine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2-methylbut-3-yn-2-amine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2-methylbut-3-yn-2-amine is C#CC(C)(C)NCc1ccc(CC)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2-methylbut-3-yn-2-amine?
The InChIKey is FHIVZFQEXKKSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-5-12-7-9-13(10-8-12)11-15-14(3,4)6-2/h2,7-10,15H,5,11H2,1,3-4H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-2-methylbut-3-yn-2-amine?
N-[(4-ethylphenyl)methyl]-2-methylbut-3-yn-2-amine has a molecular weight of 201.31 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2-methylbut-3-yn-2-amine is sourced from PubChem (CID 63997117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).