2-(aminomethyl)-6-chloro-3,4-dihydro-1H-naphthalen-2-ol

C11H14ClNO — CID 105465643

IUPAC2-(aminomethyl)-6-chloro-3,4-dihydro-1H-naphthalen-2-ol
SMILESNCC1(O)CCc2cc(Cl)ccc2C1
InChIInChI=1S/C11H14ClNO/c12-10-2-1-9-6-11(14,7-13)4-3-8(9)5-10/h1-2,5,14H,3-4,6-7,13H2
InChIKeyOHGZGXSPSRGSIB-UHFFFAOYSA-N
MW211.69 g/mol
LogP1.52
Rot. Bonds1

About 2-(aminomethyl)-6-chloro-3,4-dihydro-1H-naphthalen-2-ol

2-(aminomethyl)-6-chloro-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 105465643) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-(aminomethyl)-6-chloro-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name2-(aminomethyl)-6-chloro-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID105465643
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name2-(aminomethyl)-6-chloro-3,4-dihydro-1H-naphthalen-2-ol
SMILESNCC1(O)CCc2cc(Cl)ccc2C1
InChIInChI=1S/C11H14ClNO/c12-10-2-1-9-6-11(14,7-13)4-3-8(9)5-10/h1-2,5,14H,3-4,6-7,13H2
InChIKeyOHGZGXSPSRGSIB-UHFFFAOYSA-N
XLogP1.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-chloro-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 2-(aminomethyl)-6-chloro-3,4-dihydro-1H-naphthalen-2-ol (CID 105465643) is 2-(aminomethyl)-6-chloro-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 2-(aminomethyl)-6-chloro-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 2-(aminomethyl)-6-chloro-3,4-dihydro-1H-naphthalen-2-ol is NCC1(O)CCc2cc(Cl)ccc2C1.
What is the InChIKey of 2-(aminomethyl)-6-chloro-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is OHGZGXSPSRGSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c12-10-2-1-9-6-11(14,7-13)4-3-8(9)5-10/h1-2,5,14H,3-4,6-7,13H2.
What are the key properties of 2-(aminomethyl)-6-chloro-3,4-dihydro-1H-naphthalen-2-ol?
2-(aminomethyl)-6-chloro-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 211.69 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-chloro-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 105465643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).