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

C17H24BrN — CID 81385547

IUPAC6-bromo-N-[(1S)-1-cyclopentylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESC[C@H](NC1CCc2cc(Br)ccc2C1)C1CCCC1
InChIInChI=1S/C17H24BrN/c1-12(13-4-2-3-5-13)19-17-9-7-14-10-16(18)8-6-15(14)11-17/h6,8,10,12-13,17,19H,2-5,7,9,11H2,1H3/t12-,17?/m0/s1
InChIKeyGZDFTJCFTUUDPW-WHUIICBVSA-N
MW322.29 g/mol
LogP4.47
Rot. Bonds3

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

6-bromo-N-[(1S)-1-cyclopentylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 81385547) has the molecular formula C17H24BrN and a molecular weight of 322.29 g/mol. Its IUPAC name is 6-bromo-N-[(1S)-1-cyclopentylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(1S)-1-cyclopentylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID81385547
Molecular FormulaC17H24BrN
Molecular Weight322.29 g/mol
Exact Mass321.11
IUPAC Name6-bromo-N-[(1S)-1-cyclopentylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESC[C@H](NC1CCc2cc(Br)ccc2C1)C1CCCC1
InChIInChI=1S/C17H24BrN/c1-12(13-4-2-3-5-13)19-17-9-7-14-10-16(18)8-6-15(14)11-17/h6,8,10,12-13,17,19H,2-5,7,9,11H2,1H3/t12-,17?/m0/s1
InChIKeyGZDFTJCFTUUDPW-WHUIICBVSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55249417
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
6-bromo-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55249808
6-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81354123
N-[(1S)-1-cyclohexylethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510632
6-bromo-N-[(1S)-1-(3-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81369780
6-bromo-N-octan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63625695
6-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115726927
1-N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 63626053
3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4,4-dimethylpentan-1-ol
CID 104925952
6-bromo-N-hex-1-yn-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 106226118

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(1S)-1-cyclopentylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-[(1S)-1-cyclopentylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 81385547) is 6-bromo-N-[(1S)-1-cyclopentylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-[(1S)-1-cyclopentylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-[(1S)-1-cyclopentylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine is C[C@H](NC1CCc2cc(Br)ccc2C1)C1CCCC1.
What is the InChIKey of 6-bromo-N-[(1S)-1-cyclopentylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is GZDFTJCFTUUDPW-WHUIICBVSA-N. The full InChI is InChI=1S/C17H24BrN/c1-12(13-4-2-3-5-13)19-17-9-7-14-10-16(18)8-6-15(14)11-17/h6,8,10,12-13,17,19H,2-5,7,9,11H2,1H3/t12-,17?/m0/s1.
What are the key properties of 6-bromo-N-[(1S)-1-cyclopentylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-[(1S)-1-cyclopentylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 322.29 g/mol, XLogP of 4.47, 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-cyclopentylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 81385547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).