2-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol

C15H23BrN2O — CID 102631579

IUPAC2-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol
SMILESCN(C(CN)c1ccc(Br)cc1)C1CCCCC1O
InChIInChI=1S/C15H23BrN2O/c1-18(13-4-2-3-5-15(13)19)14(10-17)11-6-8-12(16)9-7-11/h6-9,13-15,19H,2-5,10,17H2,1H3
InChIKeyXVJLRDQXHPVWFT-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.68
Rot. Bonds4

About 2-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol

2-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol (PubChem CID 102631579) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol
PubChem CID102631579
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol
SMILESCN(C(CN)c1ccc(Br)cc1)C1CCCCC1O
InChIInChI=1S/C15H23BrN2O/c1-18(13-4-2-3-5-15(13)19)14(10-17)11-6-8-12(16)9-7-11/h6-9,13-15,19H,2-5,10,17H2,1H3
InChIKeyXVJLRDQXHPVWFT-UHFFFAOYSA-N
XLogP2.68
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol (CID 102631579) is 2-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol is CN(C(CN)c1ccc(Br)cc1)C1CCCCC1O.
What is the InChIKey of 2-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol?
The InChIKey is XVJLRDQXHPVWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-18(13-4-2-3-5-15(13)19)14(10-17)11-6-8-12(16)9-7-11/h6-9,13-15,19H,2-5,10,17H2,1H3.
What are the key properties of 2-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol?
2-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol has a molecular weight of 327.27 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102631579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).