4-(4-fluorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine

C18H20FN — CID 42601567

IUPAC4-(4-fluorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)C1Cc2ccccc2C(c2ccc(F)cc2)C1
InChIInChI=1S/C18H20FN/c1-20(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(19)10-8-13/h3-10,16,18H,11-12H2,1-2H3
InChIKeyBENDTRBVBYXEFO-UHFFFAOYSA-N
MW269.36 g/mol
LogP3.83
Rot. Bonds2

About 4-(4-fluorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine

4-(4-fluorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 42601567) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID42601567
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC Name4-(4-fluorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)C1Cc2ccccc2C(c2ccc(F)cc2)C1
InChIInChI=1S/C18H20FN/c1-20(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(19)10-8-13/h3-10,16,18H,11-12H2,1-2H3
InChIKeyBENDTRBVBYXEFO-UHFFFAOYSA-N
XLogP3.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 42601567) is 4-(4-fluorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine is CN(C)C1Cc2ccccc2C(c2ccc(F)cc2)C1.
What is the InChIKey of 4-(4-fluorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is BENDTRBVBYXEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN/c1-20(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(19)10-8-13/h3-10,16,18H,11-12H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
4-(4-fluorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 269.36 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 42601567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).