(6-bromo-3,4-dihydronaphthalen-1-yl)methanamine;hydrochloride

C11H13BrClN — CID 175934245

IUPAC(6-bromo-3,4-dihydronaphthalen-1-yl)methanamine;hydrochloride
SMILESCl.NCC1=CCCc2cc(Br)ccc21
InChIInChI=1S/C11H12BrN.ClH/c12-10-4-5-11-8(6-10)2-1-3-9(11)7-13;/h3-6H,1-2,7,13H2;1H
InChIKeyAQUAGZYBWFPIRN-UHFFFAOYSA-N
MW274.59 g/mol
LogP3.16
Rot. Bonds1

About (6-bromo-3,4-dihydronaphthalen-1-yl)methanamine;hydrochloride

(6-bromo-3,4-dihydronaphthalen-1-yl)methanamine;hydrochloride (PubChem CID 175934245) has the molecular formula C11H13BrClN and a molecular weight of 274.59 g/mol. Its IUPAC name is (6-bromo-3,4-dihydronaphthalen-1-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(6-bromo-3,4-dihydronaphthalen-1-yl)methanamine;hydrochloride
PubChem CID175934245
Molecular FormulaC11H13BrClN
Molecular Weight274.59 g/mol
Exact Mass272.99
IUPAC Name(6-bromo-3,4-dihydronaphthalen-1-yl)methanamine;hydrochloride
SMILESCl.NCC1=CCCc2cc(Br)ccc21
InChIInChI=1S/C11H12BrN.ClH/c12-10-4-5-11-8(6-10)2-1-3-9(11)7-13;/h3-6H,1-2,7,13H2;1H
InChIKeyAQUAGZYBWFPIRN-UHFFFAOYSA-N
XLogP3.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.59
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dihydronaphthalen-1-ylmethanamine;ethane
CID 91513881
ethane;(6-phenylsulfanyl-3,4-dihydronaphthalen-1-yl)methanamine
CID 91277980
2-(7-bromo-3,4-dihydronaphthalen-1-yl)ethanol
CID 102513348
ethane;[6-(oxan-4-yl)-3,4-dihydronaphthalen-1-yl]methanamine
CID 144987049
5-bromo-2,3-dihydroinden-1-one
CID 161015201
(8-methyl-3,4-dihydronaphthalen-1-yl)methanamine
CID 105435595
7-bromo-4-(3-fluorophenyl)sulfonyl-1,2-dihydronaphthalene
CID 122675896
7-methyl-4-propyl-1,2-dihydronaphthalene
CID 145183913
(5-fluoro-3,4-dihydronaphthalen-1-yl)methanamine
CID 13340039
3-bromobicyclo[4.2.0]octa-1(6),2,4-triene
CID 10866980
2-(aminomethyl)cyclopent-2-en-1-one
CID 54565407
2,4-dibromo-1-(cyclohexen-1-yl)benzene
CID 54545059

Frequently Asked Questions

What is the IUPAC name of (6-bromo-3,4-dihydronaphthalen-1-yl)methanamine;hydrochloride?
The IUPAC name of (6-bromo-3,4-dihydronaphthalen-1-yl)methanamine;hydrochloride (CID 175934245) is (6-bromo-3,4-dihydronaphthalen-1-yl)methanamine;hydrochloride.
What is the SMILES notation for (6-bromo-3,4-dihydronaphthalen-1-yl)methanamine;hydrochloride?
The canonical SMILES for (6-bromo-3,4-dihydronaphthalen-1-yl)methanamine;hydrochloride is Cl.NCC1=CCCc2cc(Br)ccc21.
What is the InChIKey of (6-bromo-3,4-dihydronaphthalen-1-yl)methanamine;hydrochloride?
The InChIKey is AQUAGZYBWFPIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN.ClH/c12-10-4-5-11-8(6-10)2-1-3-9(11)7-13;/h3-6H,1-2,7,13H2;1H.
What are the key properties of (6-bromo-3,4-dihydronaphthalen-1-yl)methanamine;hydrochloride?
(6-bromo-3,4-dihydronaphthalen-1-yl)methanamine;hydrochloride has a molecular weight of 274.59 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3,4-dihydronaphthalen-1-yl)methanamine;hydrochloride is sourced from PubChem (CID 175934245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).