[1-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine

C18H19ClFN — CID 107897274

IUPAC[1-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine
SMILESNCC1(Cc2ccc(Cl)c(F)c2)CCCc2ccccc21
InChIInChI=1S/C18H19ClFN/c19-16-8-7-13(10-17(16)20)11-18(12-21)9-3-5-14-4-1-2-6-15(14)18/h1-2,4,6-8,10H,3,5,9,11-12,21H2
InChIKeyLOQROGIVMRDVSH-UHFFFAOYSA-N
MW303.81 g/mol
LogP4.25
Rot. Bonds3

About [1-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine

[1-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine (PubChem CID 107897274) has the molecular formula C18H19ClFN and a molecular weight of 303.81 g/mol. Its IUPAC name is [1-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine
PubChem CID107897274
Molecular FormulaC18H19ClFN
Molecular Weight303.81 g/mol
Exact Mass303.12
IUPAC Name[1-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine
SMILESNCC1(Cc2ccc(Cl)c(F)c2)CCCc2ccccc21
InChIInChI=1S/C18H19ClFN/c19-16-8-7-13(10-17(16)20)11-18(12-21)9-3-5-14-4-1-2-6-15(14)18/h1-2,4,6-8,10H,3,5,9,11-12,21H2
InChIKeyLOQROGIVMRDVSH-UHFFFAOYSA-N
XLogP4.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine?
The IUPAC name of [1-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine (CID 107897274) is [1-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine.
What is the SMILES notation for [1-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine?
The canonical SMILES for [1-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine is NCC1(Cc2ccc(Cl)c(F)c2)CCCc2ccccc21.
What is the InChIKey of [1-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine?
The InChIKey is LOQROGIVMRDVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN/c19-16-8-7-13(10-17(16)20)11-18(12-21)9-3-5-14-4-1-2-6-15(14)18/h1-2,4,6-8,10H,3,5,9,11-12,21H2.
What are the key properties of [1-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine?
[1-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine has a molecular weight of 303.81 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine is sourced from PubChem (CID 107897274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).