2-ethyl-2-(3-fluorophenyl)-N-propylbutan-1-amine

C15H24FN — CID 62595155

IUPAC2-ethyl-2-(3-fluorophenyl)-N-propylbutan-1-amine
SMILESCCCNCC(CC)(CC)c1cccc(F)c1
InChIInChI=1S/C15H24FN/c1-4-10-17-12-15(5-2,6-3)13-8-7-9-14(16)11-13/h7-9,11,17H,4-6,10,12H2,1-3H3
InChIKeyQYDVICMXWKIZHJ-UHFFFAOYSA-N
MW237.36 g/mol
LogP3.88
Rot. Bonds7

About 2-ethyl-2-(3-fluorophenyl)-N-propylbutan-1-amine

2-ethyl-2-(3-fluorophenyl)-N-propylbutan-1-amine (PubChem CID 62595155) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 2-ethyl-2-(3-fluorophenyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-(3-fluorophenyl)-N-propylbutan-1-amine
PubChem CID62595155
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name2-ethyl-2-(3-fluorophenyl)-N-propylbutan-1-amine
SMILESCCCNCC(CC)(CC)c1cccc(F)c1
InChIInChI=1S/C15H24FN/c1-4-10-17-12-15(5-2,6-3)13-8-7-9-14(16)11-13/h7-9,11,17H,4-6,10,12H2,1-3H3
InChIKeyQYDVICMXWKIZHJ-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 53.88
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-2-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 62596985
2-ethyl-2-phenyl-N-propylbutan-1-amine
CID 62596576
2-(3-methylphenyl)-N,2-dipropylpentan-1-amine
CID 63510909
tert-butyl N-[2-(3-fluorophenyl)-2-(hydroxymethyl)butyl]carbamate
CID 106507136
2-[(3-fluorophenyl)methyl]-N-methyl-2-phenylbutan-1-amine
CID 62723869
2-ethyl-4-methoxy-2-phenyl-N-propylbutan-1-amine
CID 62725061
2-(3-fluorophenyl)-2-pentylpropane-1,3-diol
CID 79449979
1-(ethylamino)-2-(3-fluorophenyl)propan-2-ol
CID 62775143
3-(3-fluorophenyl)-3-(propylamino)pentanoic acid
CID 114873105
2-phenyl-N-propyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine
CID 106706027
4-[[2-(3-fluorophenyl)-2-methylpropyl]amino]butan-1-ol
CID 115217984
(2S)-2-(3-fluorophenyl)pentan-2-ol
CID 93299056

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(3-fluorophenyl)-N-propylbutan-1-amine?
The IUPAC name of 2-ethyl-2-(3-fluorophenyl)-N-propylbutan-1-amine (CID 62595155) is 2-ethyl-2-(3-fluorophenyl)-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethyl-2-(3-fluorophenyl)-N-propylbutan-1-amine?
The canonical SMILES for 2-ethyl-2-(3-fluorophenyl)-N-propylbutan-1-amine is CCCNCC(CC)(CC)c1cccc(F)c1.
What is the InChIKey of 2-ethyl-2-(3-fluorophenyl)-N-propylbutan-1-amine?
The InChIKey is QYDVICMXWKIZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-4-10-17-12-15(5-2,6-3)13-8-7-9-14(16)11-13/h7-9,11,17H,4-6,10,12H2,1-3H3.
What are the key properties of 2-ethyl-2-(3-fluorophenyl)-N-propylbutan-1-amine?
2-ethyl-2-(3-fluorophenyl)-N-propylbutan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(3-fluorophenyl)-N-propylbutan-1-amine is sourced from PubChem (CID 62595155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).