[1-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine

C18H19ClFN — CID 63522514

IUPAC[1-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine
SMILESNCC1(Cc2c(F)cccc2Cl)CCCc2ccccc21
InChIInChI=1S/C18H19ClFN/c19-16-8-3-9-17(20)14(16)11-18(12-21)10-4-6-13-5-1-2-7-15(13)18/h1-3,5,7-9H,4,6,10-12,21H2
InChIKeyIXVOPXMZBQJFAR-UHFFFAOYSA-N
MW303.81 g/mol
LogP4.25
Rot. Bonds3

About [1-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine

[1-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine (PubChem CID 63522514) has the molecular formula C18H19ClFN and a molecular weight of 303.81 g/mol. Its IUPAC name is [1-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine
PubChem CID63522514
Molecular FormulaC18H19ClFN
Molecular Weight303.81 g/mol
Exact Mass303.12
IUPAC Name[1-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine
SMILESNCC1(Cc2c(F)cccc2Cl)CCCc2ccccc21
InChIInChI=1S/C18H19ClFN/c19-16-8-3-9-17(20)14(16)11-18(12-21)10-4-6-13-5-1-2-7-15(13)18/h1-3,5,7-9H,4,6,10-12,21H2
InChIKeyIXVOPXMZBQJFAR-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-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine?
The IUPAC name of [1-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine (CID 63522514) is [1-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine.
What is the SMILES notation for [1-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine?
The canonical SMILES for [1-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine is NCC1(Cc2c(F)cccc2Cl)CCCc2ccccc21.
What is the InChIKey of [1-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine?
The InChIKey is IXVOPXMZBQJFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN/c19-16-8-3-9-17(20)14(16)11-18(12-21)10-4-6-13-5-1-2-7-15(13)18/h1-3,5,7-9H,4,6,10-12,21H2.
What are the key properties of [1-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine?
[1-[(2-chloro-6-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-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine is sourced from PubChem (CID 63522514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).