2-(aminomethyl)-6,7-dichloro-3,4-dihydro-1H-naphthalen-2-amine

C11H14Cl2N2 — CID 10421947

IUPAC2-(aminomethyl)-6,7-dichloro-3,4-dihydro-1H-naphthalen-2-amine
SMILESNCC1(N)CCc2cc(Cl)c(Cl)cc2C1
InChIInChI=1S/C11H14Cl2N2/c12-9-3-7-1-2-11(15,6-14)5-8(7)4-10(9)13/h3-4H,1-2,5-6,14-15H2
InChIKeyXKLHIJJSVVXEPZ-UHFFFAOYSA-N
MW245.15 g/mol
LogP2.14
Rot. Bonds1

About 2-(aminomethyl)-6,7-dichloro-3,4-dihydro-1H-naphthalen-2-amine

2-(aminomethyl)-6,7-dichloro-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 10421947) has the molecular formula C11H14Cl2N2 and a molecular weight of 245.15 g/mol. Its IUPAC name is 2-(aminomethyl)-6,7-dichloro-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name2-(aminomethyl)-6,7-dichloro-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID10421947
Molecular FormulaC11H14Cl2N2
Molecular Weight245.15 g/mol
Exact Mass244.05
IUPAC Name2-(aminomethyl)-6,7-dichloro-3,4-dihydro-1H-naphthalen-2-amine
SMILESNCC1(N)CCc2cc(Cl)c(Cl)cc2C1
InChIInChI=1S/C11H14Cl2N2/c12-9-3-7-1-2-11(15,6-14)5-8(7)4-10(9)13/h3-4H,1-2,5-6,14-15H2
InChIKeyXKLHIJJSVVXEPZ-UHFFFAOYSA-N
XLogP2.14
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6,7-dichloro-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 2-(aminomethyl)-6,7-dichloro-3,4-dihydro-1H-naphthalen-2-amine (CID 10421947) is 2-(aminomethyl)-6,7-dichloro-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 2-(aminomethyl)-6,7-dichloro-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 2-(aminomethyl)-6,7-dichloro-3,4-dihydro-1H-naphthalen-2-amine is NCC1(N)CCc2cc(Cl)c(Cl)cc2C1.
What is the InChIKey of 2-(aminomethyl)-6,7-dichloro-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is XKLHIJJSVVXEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2/c12-9-3-7-1-2-11(15,6-14)5-8(7)4-10(9)13/h3-4H,1-2,5-6,14-15H2.
What are the key properties of 2-(aminomethyl)-6,7-dichloro-3,4-dihydro-1H-naphthalen-2-amine?
2-(aminomethyl)-6,7-dichloro-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 245.15 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6,7-dichloro-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 10421947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).