1-cyclopropyl-3-(4-fluorophenyl)-3-methylbutan-2-amine

C14H20FN — CID 64904886

IUPAC1-cyclopropyl-3-(4-fluorophenyl)-3-methylbutan-2-amine
SMILESCC(C)(c1ccc(F)cc1)C(N)CC1CC1
InChIInChI=1S/C14H20FN/c1-14(2,13(16)9-10-3-4-10)11-5-7-12(15)8-6-11/h5-8,10,13H,3-4,9,16H2,1-2H3
InChIKeyIAMQCFDANBNPMB-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.23
Rot. Bonds4

About 1-cyclopropyl-3-(4-fluorophenyl)-3-methylbutan-2-amine

1-cyclopropyl-3-(4-fluorophenyl)-3-methylbutan-2-amine (PubChem CID 64904886) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4-fluorophenyl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-(4-fluorophenyl)-3-methylbutan-2-amine
PubChem CID64904886
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name1-cyclopropyl-3-(4-fluorophenyl)-3-methylbutan-2-amine
SMILESCC(C)(c1ccc(F)cc1)C(N)CC1CC1
InChIInChI=1S/C14H20FN/c1-14(2,13(16)9-10-3-4-10)11-5-7-12(15)8-6-11/h5-8,10,13H,3-4,9,16H2,1-2H3
InChIKeyIAMQCFDANBNPMB-UHFFFAOYSA-N
XLogP3.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(4-fluorophenyl)-3-methylbutan-2-amine?
The IUPAC name of 1-cyclopropyl-3-(4-fluorophenyl)-3-methylbutan-2-amine (CID 64904886) is 1-cyclopropyl-3-(4-fluorophenyl)-3-methylbutan-2-amine.
What is the SMILES notation for 1-cyclopropyl-3-(4-fluorophenyl)-3-methylbutan-2-amine?
The canonical SMILES for 1-cyclopropyl-3-(4-fluorophenyl)-3-methylbutan-2-amine is CC(C)(c1ccc(F)cc1)C(N)CC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(4-fluorophenyl)-3-methylbutan-2-amine?
The InChIKey is IAMQCFDANBNPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-14(2,13(16)9-10-3-4-10)11-5-7-12(15)8-6-11/h5-8,10,13H,3-4,9,16H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-(4-fluorophenyl)-3-methylbutan-2-amine?
1-cyclopropyl-3-(4-fluorophenyl)-3-methylbutan-2-amine has a molecular weight of 221.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(4-fluorophenyl)-3-methylbutan-2-amine is sourced from PubChem (CID 64904886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).