2-(aminomethyl)-8-chloro-5-methoxy-3,4-dihydro-1H-naphthalen-2-amine

C12H17ClN2O — CID 10263702

IUPAC2-(aminomethyl)-8-chloro-5-methoxy-3,4-dihydro-1H-naphthalen-2-amine
SMILESCOc1ccc(Cl)c2c1CCC(N)(CN)C2
InChIInChI=1S/C12H17ClN2O/c1-16-11-3-2-10(13)9-6-12(15,7-14)5-4-8(9)11/h2-3H,4-7,14-15H2,1H3
InChIKeyFRPVEBPIEFKKBW-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.49
Rot. Bonds2

About 2-(aminomethyl)-8-chloro-5-methoxy-3,4-dihydro-1H-naphthalen-2-amine

2-(aminomethyl)-8-chloro-5-methoxy-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 10263702) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-(aminomethyl)-8-chloro-5-methoxy-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name2-(aminomethyl)-8-chloro-5-methoxy-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID10263702
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-(aminomethyl)-8-chloro-5-methoxy-3,4-dihydro-1H-naphthalen-2-amine
SMILESCOc1ccc(Cl)c2c1CCC(N)(CN)C2
InChIInChI=1S/C12H17ClN2O/c1-16-11-3-2-10(13)9-6-12(15,7-14)5-4-8(9)11/h2-3H,4-7,14-15H2,1H3
InChIKeyFRPVEBPIEFKKBW-UHFFFAOYSA-N
XLogP1.49
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-8-chloro-5-methoxy-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 2-(aminomethyl)-8-chloro-5-methoxy-3,4-dihydro-1H-naphthalen-2-amine (CID 10263702) is 2-(aminomethyl)-8-chloro-5-methoxy-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 2-(aminomethyl)-8-chloro-5-methoxy-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 2-(aminomethyl)-8-chloro-5-methoxy-3,4-dihydro-1H-naphthalen-2-amine is COc1ccc(Cl)c2c1CCC(N)(CN)C2.
What is the InChIKey of 2-(aminomethyl)-8-chloro-5-methoxy-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is FRPVEBPIEFKKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-16-11-3-2-10(13)9-6-12(15,7-14)5-4-8(9)11/h2-3H,4-7,14-15H2,1H3.
What are the key properties of 2-(aminomethyl)-8-chloro-5-methoxy-3,4-dihydro-1H-naphthalen-2-amine?
2-(aminomethyl)-8-chloro-5-methoxy-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 240.73 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-8-chloro-5-methoxy-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 10263702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).