N-ethyl-4,4-bis(3-fluorophenyl)-3-methylbutan-2-amine

C19H23F2N — CID 20642773

IUPACN-ethyl-4,4-bis(3-fluorophenyl)-3-methylbutan-2-amine
SMILESCCNC(C)C(C)C(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C19H23F2N/c1-4-22-14(3)13(2)19(15-7-5-9-17(20)11-15)16-8-6-10-18(21)12-16/h5-14,19,22H,4H2,1-3H3
InChIKeyUJORSIZYCQKEDQ-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.73
Rot. Bonds6

About N-ethyl-4,4-bis(3-fluorophenyl)-3-methylbutan-2-amine

N-ethyl-4,4-bis(3-fluorophenyl)-3-methylbutan-2-amine (PubChem CID 20642773) has the molecular formula C19H23F2N and a molecular weight of 303.40 g/mol. Its IUPAC name is N-ethyl-4,4-bis(3-fluorophenyl)-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-4,4-bis(3-fluorophenyl)-3-methylbutan-2-amine
PubChem CID20642773
Molecular FormulaC19H23F2N
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC NameN-ethyl-4,4-bis(3-fluorophenyl)-3-methylbutan-2-amine
SMILESCCNC(C)C(C)C(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C19H23F2N/c1-4-22-14(3)13(2)19(15-7-5-9-17(20)11-15)16-8-6-10-18(21)12-16/h5-14,19,22H,4H2,1-3H3
InChIKeyUJORSIZYCQKEDQ-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 80605462
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CID 22708359
N-ethyl-2-(3-fluorophenyl)hexan-3-amine
CID 83051952
N-ethyl-1-(3-fluorophenyl)-2-propan-2-yloxyethanamine
CID 79573891
N-ethyl-1-(3-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 79093897
1-(3-fluorophenyl)-2-(3-methylbutan-2-ylamino)ethanol
CID 60899473
N-[(3-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116543854
3-(3-fluorophenyl)-N-methylpentan-2-amine
CID 114873130
N-[(2,5-difluorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43490212
N-[(4-bromophenyl)-(3-fluorophenyl)methyl]ethanamine
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2-(ethylamino)-2-(3-fluorophenyl)acetamide
CID 60786563

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4-bis(3-fluorophenyl)-3-methylbutan-2-amine?
The IUPAC name of N-ethyl-4,4-bis(3-fluorophenyl)-3-methylbutan-2-amine (CID 20642773) is N-ethyl-4,4-bis(3-fluorophenyl)-3-methylbutan-2-amine.
What is the SMILES notation for N-ethyl-4,4-bis(3-fluorophenyl)-3-methylbutan-2-amine?
The canonical SMILES for N-ethyl-4,4-bis(3-fluorophenyl)-3-methylbutan-2-amine is CCNC(C)C(C)C(c1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of N-ethyl-4,4-bis(3-fluorophenyl)-3-methylbutan-2-amine?
The InChIKey is UJORSIZYCQKEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N/c1-4-22-14(3)13(2)19(15-7-5-9-17(20)11-15)16-8-6-10-18(21)12-16/h5-14,19,22H,4H2,1-3H3.
What are the key properties of N-ethyl-4,4-bis(3-fluorophenyl)-3-methylbutan-2-amine?
N-ethyl-4,4-bis(3-fluorophenyl)-3-methylbutan-2-amine has a molecular weight of 303.40 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4-bis(3-fluorophenyl)-3-methylbutan-2-amine is sourced from PubChem (CID 20642773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).