6-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine

C18H27BrN2 — CID 63625005

IUPAC6-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCC1CCN(CCNC2CCc3cc(Br)ccc3C2)CC1
InChIInChI=1S/C18H27BrN2/c1-14-6-9-21(10-7-14)11-8-20-18-5-3-15-12-17(19)4-2-16(15)13-18/h2,4,12,14,18,20H,3,5-11,13H2,1H3
InChIKeyILQYECFXJAEAHI-UHFFFAOYSA-N
MW351.33 g/mol
LogP3.63
Rot. Bonds4

About 6-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine

6-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 63625005) has the molecular formula C18H27BrN2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 6-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID63625005
Molecular FormulaC18H27BrN2
Molecular Weight351.33 g/mol
Exact Mass350.14
IUPAC Name6-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCC1CCN(CCNC2CCc3cc(Br)ccc3C2)CC1
InChIInChI=1S/C18H27BrN2/c1-14-6-9-21(10-7-14)11-8-20-18-5-3-15-12-17(19)4-2-16(15)13-18/h2,4,12,14,18,20H,3,5-11,13H2,1H3
InChIKeyILQYECFXJAEAHI-UHFFFAOYSA-N
XLogP3.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 63625005) is 6-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine is CC1CCN(CCNC2CCc3cc(Br)ccc3C2)CC1.
What is the InChIKey of 6-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is ILQYECFXJAEAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2/c1-14-6-9-21(10-7-14)11-8-20-18-5-3-15-12-17(19)4-2-16(15)13-18/h2,4,12,14,18,20H,3,5-11,13H2,1H3.
What are the key properties of 6-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 351.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 63625005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).