2-[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol

C15H23BrN2O — CID 102631647

IUPAC2-[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol
SMILESCN(C(CN)c1cccc(Br)c1)C1CCCCC1O
InChIInChI=1S/C15H23BrN2O/c1-18(13-7-2-3-8-15(13)19)14(10-17)11-5-4-6-12(16)9-11/h4-6,9,13-15,19H,2-3,7-8,10,17H2,1H3
InChIKeyKICZICZXLDAYHR-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.68
Rot. Bonds4

About 2-[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol

2-[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol (PubChem CID 102631647) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol
PubChem CID102631647
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol
SMILESCN(C(CN)c1cccc(Br)c1)C1CCCCC1O
InChIInChI=1S/C15H23BrN2O/c1-18(13-7-2-3-8-15(13)19)14(10-17)11-5-4-6-12(16)9-11/h4-6,9,13-15,19H,2-3,7-8,10,17H2,1H3
InChIKeyKICZICZXLDAYHR-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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Related Compounds

2-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol
CID 102631579
1-(3-bromophenyl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine
CID 61444453
N-cyclohexyl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 16783142
1-(3-chlorophenyl)-N-cycloheptyl-N-methylethane-1,2-diamine
CID 43613871
4-[[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]methyl]oxan-4-ol
CID 114948515
1-(3-bromophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]ethanone
CID 102632948
1-(3-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-ol
CID 62617811
1-(3-bromophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine
CID 43265571
1-(3-bromophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112657494
2-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]cyclohexan-1-ol
CID 102631632
N-cyclopropyl-1-[3-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine
CID 113328796
1-(3-bromophenyl)-N-(2-methylpropyl)-N-propan-2-ylethane-1,2-diamine
CID 55000910

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol (CID 102631647) is 2-[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol is CN(C(CN)c1cccc(Br)c1)C1CCCCC1O.
What is the InChIKey of 2-[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol?
The InChIKey is KICZICZXLDAYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-18(13-7-2-3-8-15(13)19)14(10-17)11-5-4-6-12(16)9-11/h4-6,9,13-15,19H,2-3,7-8,10,17H2,1H3.
What are the key properties of 2-[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol?
2-[[2-amino-1-(3-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-(3-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102631647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).