(1S)-1-cyclopentyl-N-[(3,5-dibromo-2-methoxyphenyl)methyl]ethanamine

C15H21Br2NO — CID 81386867

IUPAC(1S)-1-cyclopentyl-N-[(3,5-dibromo-2-methoxyphenyl)methyl]ethanamine
SMILESCOc1c(Br)cc(Br)cc1CN[C@@H](C)C1CCCC1
InChIInChI=1S/C15H21Br2NO/c1-10(11-5-3-4-6-11)18-9-12-7-13(16)8-14(17)15(12)19-2/h7-8,10-11,18H,3-6,9H2,1-2H3/t10-/m0/s1
InChIKeyREHDAXSHAURHMD-JTQLQIEISA-N
MW391.15 g/mol
LogP4.89
Rot. Bonds5

About (1S)-1-cyclopentyl-N-[(3,5-dibromo-2-methoxyphenyl)methyl]ethanamine

(1S)-1-cyclopentyl-N-[(3,5-dibromo-2-methoxyphenyl)methyl]ethanamine (PubChem CID 81386867) has the molecular formula C15H21Br2NO and a molecular weight of 391.15 g/mol. Its IUPAC name is (1S)-1-cyclopentyl-N-[(3,5-dibromo-2-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclopentyl-N-[(3,5-dibromo-2-methoxyphenyl)methyl]ethanamine
PubChem CID81386867
Molecular FormulaC15H21Br2NO
Molecular Weight391.15 g/mol
Exact Mass389.00
IUPAC Name(1S)-1-cyclopentyl-N-[(3,5-dibromo-2-methoxyphenyl)methyl]ethanamine
SMILESCOc1c(Br)cc(Br)cc1CN[C@@H](C)C1CCCC1
InChIInChI=1S/C15H21Br2NO/c1-10(11-5-3-4-6-11)18-9-12-7-13(16)8-14(17)15(12)19-2/h7-8,10-11,18H,3-6,9H2,1-2H3/t10-/m0/s1
InChIKeyREHDAXSHAURHMD-JTQLQIEISA-N
XLogP4.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.15
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-cycloheptyl-N-[(3,5-dibromo-2-methoxyphenyl)methyl]ethanamine
CID 81389601
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769043
N-[(3,5-dibromo-2-methoxyphenyl)methyl]cyclopropanamine
CID 4719896
(1S)-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-cyclohexylethanamine
CID 81390961
4-[(3,5-dibromo-2-methoxyphenyl)methylamino]pentan-2-ol
CID 113376063
3-[(3,5-dibromo-2-methoxyphenyl)methylamino]-2-methylbutan-1-ol
CID 115644565
N-[(3,5-dibromo-2-methoxyphenyl)methyl]pent-4-yn-2-amine
CID 113244948
2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115615294
N-[(2-bromophenyl)methyl]-1-cyclopentylethanamine
CID 62632119
(1S)-1-cycloheptyl-N-[(2,3-dimethoxyphenyl)methyl]ethanamine
CID 81391569
(1S)-N-[(3-bromo-2-methoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 97102481
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79861903

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopentyl-N-[(3,5-dibromo-2-methoxyphenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-cyclopentyl-N-[(3,5-dibromo-2-methoxyphenyl)methyl]ethanamine (CID 81386867) is (1S)-1-cyclopentyl-N-[(3,5-dibromo-2-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclopentyl-N-[(3,5-dibromo-2-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-cyclopentyl-N-[(3,5-dibromo-2-methoxyphenyl)methyl]ethanamine is COc1c(Br)cc(Br)cc1CN[C@@H](C)C1CCCC1.
What is the InChIKey of (1S)-1-cyclopentyl-N-[(3,5-dibromo-2-methoxyphenyl)methyl]ethanamine?
The InChIKey is REHDAXSHAURHMD-JTQLQIEISA-N. The full InChI is InChI=1S/C15H21Br2NO/c1-10(11-5-3-4-6-11)18-9-12-7-13(16)8-14(17)15(12)19-2/h7-8,10-11,18H,3-6,9H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-cyclopentyl-N-[(3,5-dibromo-2-methoxyphenyl)methyl]ethanamine?
(1S)-1-cyclopentyl-N-[(3,5-dibromo-2-methoxyphenyl)methyl]ethanamine has a molecular weight of 391.15 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopentyl-N-[(3,5-dibromo-2-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 81386867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).