7-bromo-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C11H14BrN — CID 115417625

IUPAC7-bromo-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CCC(N)c2cc(Br)ccc21
InChIInChI=1S/C11H14BrN/c1-7-2-5-11(13)10-6-8(12)3-4-9(7)10/h3-4,6-7,11H,2,5,13H2,1H3
InChIKeyATKJUUHHHHAFNM-UHFFFAOYSA-N
MW240.14 g/mol
LogP3.35
Rot. Bonds

About 7-bromo-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

7-bromo-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115417625) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 7-bromo-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name7-bromo-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115417625
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name7-bromo-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CCC(N)c2cc(Br)ccc21
InChIInChI=1S/C11H14BrN/c1-7-2-5-11(13)10-6-8(12)3-4-9(7)10/h3-4,6-7,11H,2,5,13H2,1H3
InChIKeyATKJUUHHHHAFNM-UHFFFAOYSA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-7-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417616
7-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417620
4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 155465000
(1R)-7-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417533
6-bromo-2,3-dihydro-1H-inden-1-amine;methanamine
CID 174570808
(1S)-6,7-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115483191
7-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-amine
CID 83843274
(1R)-6-bromo-1,2,3,4-tetrahydronaphthalen-1-amine
CID 71416765
(1S)-4,5,5,8,8-pentamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine
CID 104889638
2-bromo-5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 167601855
(7S)-10-methyl-3,4,7,8,9,10-hexahydro-2H-benzo[h][1,5]benzodioxepin-7-amine
CID 115417592
(4R)-7-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 91844840

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 7-bromo-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115417625) is 7-bromo-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 7-bromo-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 7-bromo-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CC1CCC(N)c2cc(Br)ccc21.
What is the InChIKey of 7-bromo-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is ATKJUUHHHHAFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c1-7-2-5-11(13)10-6-8(12)3-4-9(7)10/h3-4,6-7,11H,2,5,13H2,1H3.
What are the key properties of 7-bromo-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
7-bromo-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 240.14 g/mol, XLogP of 3.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115417625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).