N-(5-chloro-2-fluorophenyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C17H17ClFN — CID 115418225

IUPACN-(5-chloro-2-fluorophenyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CCC(Nc2cc(Cl)ccc2F)c2ccccc21
InChIInChI=1S/C17H17ClFN/c1-11-6-9-16(14-5-3-2-4-13(11)14)20-17-10-12(18)7-8-15(17)19/h2-5,7-8,10-11,16,20H,6,9H2,1H3
InChIKeyBGKVECPKXGHDSO-UHFFFAOYSA-N
MW289.78 g/mol
LogP5.53
Rot. Bonds2

About N-(5-chloro-2-fluorophenyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

N-(5-chloro-2-fluorophenyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115418225) has the molecular formula C17H17ClFN and a molecular weight of 289.78 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115418225
Molecular FormulaC17H17ClFN
Molecular Weight289.78 g/mol
Exact Mass289.10
IUPAC NameN-(5-chloro-2-fluorophenyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CCC(Nc2cc(Cl)ccc2F)c2ccccc21
InChIInChI=1S/C17H17ClFN/c1-11-6-9-16(14-5-3-2-4-13(11)14)20-17-10-12(18)7-8-15(17)19/h2-5,7-8,10-11,16,20H,6,9H2,1H3
InChIKeyBGKVECPKXGHDSO-UHFFFAOYSA-N
XLogP5.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.78
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115418225) is N-(5-chloro-2-fluorophenyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CC1CCC(Nc2cc(Cl)ccc2F)c2ccccc21.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is BGKVECPKXGHDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN/c1-11-6-9-16(14-5-3-2-4-13(11)14)20-17-10-12(18)7-8-15(17)19/h2-5,7-8,10-11,16,20H,6,9H2,1H3.
What are the key properties of N-(5-chloro-2-fluorophenyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(5-chloro-2-fluorophenyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 289.78 g/mol, XLogP of 5.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115418225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).