1-(4-butylphenyl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine

C15H21F4N — CID 79659815

IUPAC1-(4-butylphenyl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine
SMILESCCCCc1ccc(C(NCC)C(F)(F)C(F)F)cc1
InChIInChI=1S/C15H21F4N/c1-3-5-6-11-7-9-12(10-8-11)13(20-4-2)15(18,19)14(16)17/h7-10,13-14,20H,3-6H2,1-2H3
InChIKeyAIKJEAWEBWBESG-UHFFFAOYSA-N
MW291.33 g/mol
LogP4.58
Rot. Bonds8

About 1-(4-butylphenyl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine

1-(4-butylphenyl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine (PubChem CID 79659815) has the molecular formula C15H21F4N and a molecular weight of 291.33 g/mol. Its IUPAC name is 1-(4-butylphenyl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine.

Molecular Properties

Compound Name1-(4-butylphenyl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine
PubChem CID79659815
Molecular FormulaC15H21F4N
Molecular Weight291.33 g/mol
Exact Mass291.16
IUPAC Name1-(4-butylphenyl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine
SMILESCCCCc1ccc(C(NCC)C(F)(F)C(F)F)cc1
InChIInChI=1S/C15H21F4N/c1-3-5-6-11-7-9-12(10-8-11)13(20-4-2)15(18,19)14(16)17/h7-10,13-14,20H,3-6H2,1-2H3
InChIKeyAIKJEAWEBWBESG-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butylphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43393753
N-[(4-butylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 43491214
1-(4-chlorophenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 79660522
1-(4-butylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43491199
1-(4-tert-butylphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 79644553
1-(4-butylphenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 104518607
1-(3-bromo-4-propoxyphenyl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine
CID 104658048
1-(4-butylphenyl)-N,2-diethylhexan-1-amine
CID 63507624
1-N,2-N,2-N-triethyl-2-methyl-1-(4-propylphenyl)propane-1,2-diamine
CID 79046664
N-[(4-butylphenyl)-pyridin-4-ylmethyl]ethanamine
CID 43491200
1-[bromo-(4-butylphenyl)methyl]-4-propylbenzene
CID 139632496
bis(4-butylphenyl)methylphosphane
CID 90110025

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine?
The IUPAC name of 1-(4-butylphenyl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine (CID 79659815) is 1-(4-butylphenyl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine.
What is the SMILES notation for 1-(4-butylphenyl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine?
The canonical SMILES for 1-(4-butylphenyl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine is CCCCc1ccc(C(NCC)C(F)(F)C(F)F)cc1.
What is the InChIKey of 1-(4-butylphenyl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine?
The InChIKey is AIKJEAWEBWBESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F4N/c1-3-5-6-11-7-9-12(10-8-11)13(20-4-2)15(18,19)14(16)17/h7-10,13-14,20H,3-6H2,1-2H3.
What are the key properties of 1-(4-butylphenyl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine?
1-(4-butylphenyl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine has a molecular weight of 291.33 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine is sourced from PubChem (CID 79659815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).