N-(bromomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine

C11H14BrN — CID 115261521

IUPACN-(bromomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESBrCNc1ccc2c(c1)CCCC2
InChIInChI=1S/C11H14BrN/c12-8-13-11-6-5-9-3-1-2-4-10(9)7-11/h5-7,13H,1-4,8H2
InChIKeyQMHILGJQJHDUNO-UHFFFAOYSA-N
MW240.14 g/mol
LogP3.33
Rot. Bonds2

About N-(bromomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine

N-(bromomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine (PubChem CID 115261521) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is N-(bromomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(bromomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine
PubChem CID115261521
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC NameN-(bromomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESBrCNc1ccc2c(c1)CCCC2
InChIInChI=1S/C11H14BrN/c12-8-13-11-6-5-9-3-1-2-4-10(9)7-11/h5-7,13H,1-4,8H2
InChIKeyQMHILGJQJHDUNO-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N'-(5,6,7,8-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 82490968
N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-5-amine
CID 43560294
N'-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanediamine
CID 115226489
N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 79968934
N-[[4-(methylamino)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115212622
N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 115197636
3-(5,6,7,8-tetrahydronaphthalen-2-ylamino)propane-1,2-diol
CID 115121860
2-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 115198218
N-tert-butyl-2,3-dihydro-1H-inden-5-amine;ethane
CID 167619505
N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-5-amine
CID 64554180
1-(2,3-dihydro-1H-inden-5-ylamino)propan-2-one
CID 115234414
N'-(2,3-dihydro-1H-inden-5-yl)-N-ethylethane-1,2-diamine
CID 115205551

Frequently Asked Questions

What is the IUPAC name of N-(bromomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine?
The IUPAC name of N-(bromomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine (CID 115261521) is N-(bromomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-(bromomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-(bromomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine is BrCNc1ccc2c(c1)CCCC2.
What is the InChIKey of N-(bromomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine?
The InChIKey is QMHILGJQJHDUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c12-8-13-11-6-5-9-3-1-2-4-10(9)7-11/h5-7,13H,1-4,8H2.
What are the key properties of N-(bromomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine?
N-(bromomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine has a molecular weight of 240.14 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(bromomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 115261521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).