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

C19H22BrN — CID 81354123

IUPAC6-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1ccccc1[C@@H](C)NC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C19H22BrN/c1-13-5-3-4-6-19(13)14(2)21-18-10-8-15-11-17(20)9-7-16(15)12-18/h3-7,9,11,14,18,21H,8,10,12H2,1-2H3/t14-,18?/m1/s1
InChIKeyZMFIYKDYIMFKGF-IKJXHCRLSA-N
MW344.30 g/mol
LogP4.97
Rot. Bonds3

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

6-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 81354123) has the molecular formula C19H22BrN and a molecular weight of 344.30 g/mol. Its IUPAC name is 6-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID81354123
Molecular FormulaC19H22BrN
Molecular Weight344.30 g/mol
Exact Mass343.09
IUPAC Name6-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1ccccc1[C@@H](C)NC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C19H22BrN/c1-13-5-3-4-6-19(13)14(2)21-18-10-8-15-11-17(20)9-7-16(15)12-18/h3-7,9,11,14,18,21H,8,10,12H2,1-2H3/t14-,18?/m1/s1
InChIKeyZMFIYKDYIMFKGF-IKJXHCRLSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-N-[(1S)-1-(3-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81369780
6-bromo-N-[(1S)-1-cyclopentylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81385547
6-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115726927
N-[1-(3-bromophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43426726
6-bromo-N-but-3-en-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115727894
6-bromo-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55249808
2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-1-ol
CID 63626390
(2S)-2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2-phenylethanol
CID 103784050
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 107850032
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 107850002
6-bromo-N-(2-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63626750
4-methyl-2-[1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)ethyl]phenol
CID 62303911

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 81354123) is 6-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine is Cc1ccccc1[C@@H](C)NC1CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is ZMFIYKDYIMFKGF-IKJXHCRLSA-N. The full InChI is InChI=1S/C19H22BrN/c1-13-5-3-4-6-19(13)14(2)21-18-10-8-15-11-17(20)9-7-16(15)12-18/h3-7,9,11,14,18,21H,8,10,12H2,1-2H3/t14-,18?/m1/s1.
What are the key properties of 6-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 344.30 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 81354123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).