6-bromo-N-(2-piperidin-1-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C18H27BrN2 — CID 63625349

IUPAC6-bromo-N-(2-piperidin-1-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCC(CNC1CCc2cc(Br)ccc2C1)N1CCCCC1
InChIInChI=1S/C18H27BrN2/c1-14(21-9-3-2-4-10-21)13-20-18-8-6-15-11-17(19)7-5-16(15)12-18/h5,7,11,14,18,20H,2-4,6,8-10,12-13H2,1H3
InChIKeyIBKWIDCBPBKPHW-UHFFFAOYSA-N
MW351.33 g/mol
LogP3.77
Rot. Bonds4

About 6-bromo-N-(2-piperidin-1-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine

6-bromo-N-(2-piperidin-1-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 63625349) has the molecular formula C18H27BrN2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 6-bromo-N-(2-piperidin-1-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-(2-piperidin-1-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID63625349
Molecular FormulaC18H27BrN2
Molecular Weight351.33 g/mol
Exact Mass350.14
IUPAC Name6-bromo-N-(2-piperidin-1-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCC(CNC1CCc2cc(Br)ccc2C1)N1CCCCC1
InChIInChI=1S/C18H27BrN2/c1-14(21-9-3-2-4-10-21)13-20-18-8-6-15-11-17(19)7-5-16(15)12-18/h5,7,11,14,18,20H,2-4,6,8-10,12-13H2,1H3
InChIKeyIBKWIDCBPBKPHW-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-Bromophenyl)(phenyl)methyl]piperazine
CID 3704699
6-Bromo-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10059566
8-Bromo-2-dipropylamino-1,2,3,4-tetrahydronaphthalene
CID 14529564
US9828374, Example 2
CID 86318578
(7-Bromo-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amine
CID 17932068
5-bromo-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 44209559
6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride
CID 137943731
6-bromo-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride
CID 137944713
2-(4-bromophenyl)-N-[2-(1-piperidyl)ethyl]ethanamine
CID 380068
6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63626726
3-[6-bromo-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine
CID 70055083
3-[4-Bromo-2-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-1-methylpiperazine
CID 166093372

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-piperidin-1-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-(2-piperidin-1-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 63625349) is 6-bromo-N-(2-piperidin-1-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-(2-piperidin-1-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-(2-piperidin-1-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine is CC(CNC1CCc2cc(Br)ccc2C1)N1CCCCC1.
What is the InChIKey of 6-bromo-N-(2-piperidin-1-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is IBKWIDCBPBKPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2/c1-14(21-9-3-2-4-10-21)13-20-18-8-6-15-11-17(19)7-5-16(15)12-18/h5,7,11,14,18,20H,2-4,6,8-10,12-13H2,1H3.
What are the key properties of 6-bromo-N-(2-piperidin-1-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-(2-piperidin-1-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 351.33 g/mol, XLogP of 3.77, 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-piperidin-1-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 63625349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).