[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine

C18H19Cl2N — CID 65318575

IUPAC[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine
SMILESNCC1(Cc2cc(Cl)ccc2Cl)CCCc2ccccc21
InChIInChI=1S/C18H19Cl2N/c19-15-7-8-17(20)14(10-15)11-18(12-21)9-3-5-13-4-1-2-6-16(13)18/h1-2,4,6-8,10H,3,5,9,11-12,21H2
InChIKeyQXYXRCLSAORIJN-UHFFFAOYSA-N
MW320.26 g/mol
LogP4.77
Rot. Bonds3

About [1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine

[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine (PubChem CID 65318575) has the molecular formula C18H19Cl2N and a molecular weight of 320.26 g/mol. Its IUPAC name is [1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine.

Molecular Properties

Compound Name[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine
PubChem CID65318575
Molecular FormulaC18H19Cl2N
Molecular Weight320.26 g/mol
Exact Mass319.09
IUPAC Name[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine
SMILESNCC1(Cc2cc(Cl)ccc2Cl)CCCc2ccccc21
InChIInChI=1S/C18H19Cl2N/c19-15-7-8-17(20)14(10-15)11-18(12-21)9-3-5-13-4-1-2-6-16(13)18/h1-2,4,6-8,10H,3,5,9,11-12,21H2
InChIKeyQXYXRCLSAORIJN-UHFFFAOYSA-N
XLogP4.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine?
The IUPAC name of [1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine (CID 65318575) is [1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine.
What is the SMILES notation for [1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine?
The canonical SMILES for [1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine is NCC1(Cc2cc(Cl)ccc2Cl)CCCc2ccccc21.
What is the InChIKey of [1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine?
The InChIKey is QXYXRCLSAORIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N/c19-15-7-8-17(20)14(10-15)11-18(12-21)9-3-5-13-4-1-2-6-16(13)18/h1-2,4,6-8,10H,3,5,9,11-12,21H2.
What are the key properties of [1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine?
[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine has a molecular weight of 320.26 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine is sourced from PubChem (CID 65318575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).