N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpyridin-3-amine

C16H17BrN2 — CID 63626601

IUPACN-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpyridin-3-amine
SMILESCc1ccncc1NC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C16H17BrN2/c1-11-6-7-18-10-16(11)19-15-5-3-12-8-14(17)4-2-13(12)9-15/h2,4,6-8,10,15,19H,3,5,9H2,1H3
InChIKeyDKSZAFYJRSMBSZ-UHFFFAOYSA-N
MW317.23 g/mol
LogP4.12
Rot. Bonds2

About N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpyridin-3-amine

N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpyridin-3-amine (PubChem CID 63626601) has the molecular formula C16H17BrN2 and a molecular weight of 317.23 g/mol. Its IUPAC name is N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpyridin-3-amine.

Molecular Properties

Compound NameN-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpyridin-3-amine
PubChem CID63626601
Molecular FormulaC16H17BrN2
Molecular Weight317.23 g/mol
Exact Mass316.06
IUPAC NameN-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpyridin-3-amine
SMILESCc1ccncc1NC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C16H17BrN2/c1-11-6-7-18-10-16(11)19-15-5-3-12-8-14(17)4-2-13(12)9-15/h2,4,6-8,10,15,19H,3,5,9H2,1H3
InChIKeyDKSZAFYJRSMBSZ-UHFFFAOYSA-N
XLogP4.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpyridin-3-amine?
The IUPAC name of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpyridin-3-amine (CID 63626601) is N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpyridin-3-amine.
What is the SMILES notation for N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpyridin-3-amine?
The canonical SMILES for N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpyridin-3-amine is Cc1ccncc1NC1CCc2cc(Br)ccc2C1.
What is the InChIKey of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpyridin-3-amine?
The InChIKey is DKSZAFYJRSMBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2/c1-11-6-7-18-10-16(11)19-15-5-3-12-8-14(17)4-2-13(12)9-15/h2,4,6-8,10,15,19H,3,5,9H2,1H3.
What are the key properties of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpyridin-3-amine?
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpyridin-3-amine has a molecular weight of 317.23 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpyridin-3-amine is sourced from PubChem (CID 63626601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).