1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;dihydrochloride

C16H20Cl2N2 — CID 22037055

IUPAC1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;dihydrochloride
SMILESCl.Cl.NC1CCc2ccccc2C1Cc1cccnc1
InChIInChI=1S/C16H18N2.2ClH/c17-16-8-7-13-5-1-2-6-14(13)15(16)10-12-4-3-9-18-11-12;;/h1-6,9,11,15-16H,7-8,10,17H2;2*1H
InChIKeyKNTCJLORPVTLPY-UHFFFAOYSA-N
MW311.26 g/mol
LogP3.53
Rot. Bonds2

About 1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;dihydrochloride

1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;dihydrochloride (PubChem CID 22037055) has the molecular formula C16H20Cl2N2 and a molecular weight of 311.26 g/mol. Its IUPAC name is 1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;dihydrochloride.

Molecular Properties

Compound Name1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;dihydrochloride
PubChem CID22037055
Molecular FormulaC16H20Cl2N2
Molecular Weight311.26 g/mol
Exact Mass310.10
IUPAC Name1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;dihydrochloride
SMILESCl.Cl.NC1CCc2ccccc2C1Cc1cccnc1
InChIInChI=1S/C16H18N2.2ClH/c17-16-8-7-13-5-1-2-6-14(13)15(16)10-12-4-3-9-18-11-12;;/h1-6,9,11,15-16H,7-8,10,17H2;2*1H
InChIKeyKNTCJLORPVTLPY-UHFFFAOYSA-N
XLogP3.53
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;dihydrochloride?
The IUPAC name of 1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;dihydrochloride (CID 22037055) is 1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;dihydrochloride.
What is the SMILES notation for 1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;dihydrochloride?
The canonical SMILES for 1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;dihydrochloride is Cl.Cl.NC1CCc2ccccc2C1Cc1cccnc1.
What is the InChIKey of 1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;dihydrochloride?
The InChIKey is KNTCJLORPVTLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2.2ClH/c17-16-8-7-13-5-1-2-6-14(13)15(16)10-12-4-3-9-18-11-12;;/h1-6,9,11,15-16H,7-8,10,17H2;2*1H.
What are the key properties of 1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;dihydrochloride?
1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;dihydrochloride has a molecular weight of 311.26 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;dihydrochloride is sourced from PubChem (CID 22037055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).