4-(4-fluoronaphthalen-1-yl)-2,2-dimethylbutan-1-amine

C16H20FN — CID 65305976

IUPAC4-(4-fluoronaphthalen-1-yl)-2,2-dimethylbutan-1-amine
SMILESCC(C)(CN)CCc1ccc(F)c2ccccc12
InChIInChI=1S/C16H20FN/c1-16(2,11-18)10-9-12-7-8-15(17)14-6-4-3-5-13(12)14/h3-8H,9-11,18H2,1-2H3
InChIKeyFDELXHXETVUGNL-UHFFFAOYSA-N
MW245.34 g/mol
LogP3.90
Rot. Bonds4

About 4-(4-fluoronaphthalen-1-yl)-2,2-dimethylbutan-1-amine

4-(4-fluoronaphthalen-1-yl)-2,2-dimethylbutan-1-amine (PubChem CID 65305976) has the molecular formula C16H20FN and a molecular weight of 245.34 g/mol. Its IUPAC name is 4-(4-fluoronaphthalen-1-yl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(4-fluoronaphthalen-1-yl)-2,2-dimethylbutan-1-amine
PubChem CID65305976
Molecular FormulaC16H20FN
Molecular Weight245.34 g/mol
Exact Mass245.16
IUPAC Name4-(4-fluoronaphthalen-1-yl)-2,2-dimethylbutan-1-amine
SMILESCC(C)(CN)CCc1ccc(F)c2ccccc12
InChIInChI=1S/C16H20FN/c1-16(2,11-18)10-9-12-7-8-15(17)14-6-4-3-5-13(12)14/h3-8H,9-11,18H2,1-2H3
InChIKeyFDELXHXETVUGNL-UHFFFAOYSA-N
XLogP3.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoronaphthalen-1-yl)-2,2-dimethylbutan-1-amine?
The IUPAC name of 4-(4-fluoronaphthalen-1-yl)-2,2-dimethylbutan-1-amine (CID 65305976) is 4-(4-fluoronaphthalen-1-yl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 4-(4-fluoronaphthalen-1-yl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for 4-(4-fluoronaphthalen-1-yl)-2,2-dimethylbutan-1-amine is CC(C)(CN)CCc1ccc(F)c2ccccc12.
What is the InChIKey of 4-(4-fluoronaphthalen-1-yl)-2,2-dimethylbutan-1-amine?
The InChIKey is FDELXHXETVUGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN/c1-16(2,11-18)10-9-12-7-8-15(17)14-6-4-3-5-13(12)14/h3-8H,9-11,18H2,1-2H3.
What are the key properties of 4-(4-fluoronaphthalen-1-yl)-2,2-dimethylbutan-1-amine?
4-(4-fluoronaphthalen-1-yl)-2,2-dimethylbutan-1-amine has a molecular weight of 245.34 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoronaphthalen-1-yl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 65305976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).