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

C19H22BrN — CID 81369780

IUPAC6-bromo-N-[(1S)-1-(3-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1cccc([C@H](C)NC2CCc3cc(Br)ccc3C2)c1
InChIInChI=1S/C19H22BrN/c1-13-4-3-5-15(10-13)14(2)21-19-9-7-16-11-18(20)8-6-17(16)12-19/h3-6,8,10-11,14,19,21H,7,9,12H2,1-2H3/t14-,19?/m0/s1
InChIKeyCXEKKPWMWAAUGE-KTQQKIMGSA-N
MW344.30 g/mol
LogP4.97
Rot. Bonds3

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

6-bromo-N-[(1S)-1-(3-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 81369780) has the molecular formula C19H22BrN and a molecular weight of 344.30 g/mol. Its IUPAC name is 6-bromo-N-[(1S)-1-(3-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(1S)-1-(3-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID81369780
Molecular FormulaC19H22BrN
Molecular Weight344.30 g/mol
Exact Mass343.09
IUPAC Name6-bromo-N-[(1S)-1-(3-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1cccc([C@H](C)NC2CCc3cc(Br)ccc3C2)c1
InChIInChI=1S/C19H22BrN/c1-13-4-3-5-15(10-13)14(2)21-19-9-7-16-11-18(20)8-6-17(16)12-19/h3-6,8,10-11,14,19,21H,7,9,12H2,1-2H3/t14-,19?/m0/s1
InChIKeyCXEKKPWMWAAUGE-KTQQKIMGSA-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

N-[1-(3-bromophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43426726
6-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81354123
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
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
6-bromo-N-but-3-en-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115727894
(2S)-2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2-phenylethanol
CID 103784050
N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81351587
6-bromo-N-(3,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627793
N-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine
CID 28555572
N-[(1S)-1-(3-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81364403

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(1S)-1-(3-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-[(1S)-1-(3-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 81369780) is 6-bromo-N-[(1S)-1-(3-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-[(1S)-1-(3-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-[(1S)-1-(3-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine is Cc1cccc([C@H](C)NC2CCc3cc(Br)ccc3C2)c1.
What is the InChIKey of 6-bromo-N-[(1S)-1-(3-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is CXEKKPWMWAAUGE-KTQQKIMGSA-N. The full InChI is InChI=1S/C19H22BrN/c1-13-4-3-5-15(10-13)14(2)21-19-9-7-16-11-18(20)8-6-17(16)12-19/h3-6,8,10-11,14,19,21H,7,9,12H2,1-2H3/t14-,19?/m0/s1.
What are the key properties of 6-bromo-N-[(1S)-1-(3-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-[(1S)-1-(3-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-[(1S)-1-(3-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 81369780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).