2-ethyl-2-phenyl-N-propylbutan-1-amine

C15H25N — CID 62596576

IUPAC2-ethyl-2-phenyl-N-propylbutan-1-amine
SMILESCCCNCC(CC)(CC)c1ccccc1
InChIInChI=1S/C15H25N/c1-4-12-16-13-15(5-2,6-3)14-10-8-7-9-11-14/h7-11,16H,4-6,12-13H2,1-3H3
InChIKeyZQALINUHYUZCDY-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.74
Rot. Bonds7

About 2-ethyl-2-phenyl-N-propylbutan-1-amine

2-ethyl-2-phenyl-N-propylbutan-1-amine (PubChem CID 62596576) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2-ethyl-2-phenyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-phenyl-N-propylbutan-1-amine
PubChem CID62596576
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2-ethyl-2-phenyl-N-propylbutan-1-amine
SMILESCCCNCC(CC)(CC)c1ccccc1
InChIInChI=1S/C15H25N/c1-4-12-16-13-15(5-2,6-3)14-10-8-7-9-11-14/h7-11,16H,4-6,12-13H2,1-3H3
InChIKeyZQALINUHYUZCDY-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.74
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

2-ethyl-4-methoxy-2-phenyl-N-propylbutan-1-amine
CID 62725061
2-phenyl-N-propyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine
CID 106706027
2-ethyl-2-(3-fluorophenyl)-N-propylbutan-1-amine
CID 62595155
2-phenyl-N-propyl-2-(thiophen-3-ylmethyl)butan-1-amine
CID 63507962
2-ethyl-N-(2-methylpropyl)-2-phenylbutan-1-amine
CID 62594549
2-ethyl-N-methyl-2-phenylbutan-1-amine
CID 62596018
2-ethyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 55107234
N,2-diethyl-2-phenyldecan-1-amine
CID 63507626
3,3-difluoro-3-phenyl-N-propylpropan-1-amine
CID 116790434
4-[[(2-ethyl-2-phenylbutyl)amino]methyl]benzoic acid
CID 122031703
2-(3-methylphenyl)-N,2-dipropylpentan-1-amine
CID 63510909
3-(chloromethyl)pentan-3-ylbenzene
CID 65439114

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-phenyl-N-propylbutan-1-amine?
The IUPAC name of 2-ethyl-2-phenyl-N-propylbutan-1-amine (CID 62596576) is 2-ethyl-2-phenyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethyl-2-phenyl-N-propylbutan-1-amine?
The canonical SMILES for 2-ethyl-2-phenyl-N-propylbutan-1-amine is CCCNCC(CC)(CC)c1ccccc1.
What is the InChIKey of 2-ethyl-2-phenyl-N-propylbutan-1-amine?
The InChIKey is ZQALINUHYUZCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-4-12-16-13-15(5-2,6-3)14-10-8-7-9-11-14/h7-11,16H,4-6,12-13H2,1-3H3.
What are the key properties of 2-ethyl-2-phenyl-N-propylbutan-1-amine?
2-ethyl-2-phenyl-N-propylbutan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-phenyl-N-propylbutan-1-amine is sourced from PubChem (CID 62596576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).