2-[2-(aminomethyl)-5-bromo-N-methylanilino]cyclohexan-1-ol

C14H21BrN2O — CID 102631472

IUPAC2-[2-(aminomethyl)-5-bromo-N-methylanilino]cyclohexan-1-ol
SMILESCN(c1cc(Br)ccc1CN)C1CCCCC1O
InChIInChI=1S/C14H21BrN2O/c1-17(12-4-2-3-5-14(12)18)13-8-11(15)7-6-10(13)9-16/h6-8,12,14,18H,2-5,9,16H2,1H3
InChIKeyPJDLWTQTVMIZPY-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.65
Rot. Bonds3

About 2-[2-(aminomethyl)-5-bromo-N-methylanilino]cyclohexan-1-ol

2-[2-(aminomethyl)-5-bromo-N-methylanilino]cyclohexan-1-ol (PubChem CID 102631472) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-5-bromo-N-methylanilino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[2-(aminomethyl)-5-bromo-N-methylanilino]cyclohexan-1-ol
PubChem CID102631472
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name2-[2-(aminomethyl)-5-bromo-N-methylanilino]cyclohexan-1-ol
SMILESCN(c1cc(Br)ccc1CN)C1CCCCC1O
InChIInChI=1S/C14H21BrN2O/c1-17(12-4-2-3-5-14(12)18)13-8-11(15)7-6-10(13)9-16/h6-8,12,14,18H,2-5,9,16H2,1H3
InChIKeyPJDLWTQTVMIZPY-UHFFFAOYSA-N
XLogP2.65
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[(2-hydroxycyclohexyl)-methylamino]benzonitrile
CID 102632143
2-(2-aminopropyl)-5-bromo-N-cyclopentyl-N-methylaniline
CID 63785627
2-(aminomethyl)-5-bromo-N-cyclopropyl-N-ethylaniline
CID 43264393
2-[2-(aminomethyl)-5-bromo-N-methylanilino]ethanol
CID 60961571
2-[[2-(aminomethyl)-4-fluorophenyl]methyl-methylamino]cyclohexan-1-ol
CID 102631680
2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]cyclohexan-1-ol
CID 102635969
N-[2-(2-aminoethyl)-5-bromophenyl]-N,2-dimethyloxolan-3-amine
CID 82754495
5-bromo-N-cyclohexyl-2-(ethylaminomethyl)-N-methylaniline
CID 43280842
2-(aminomethyl)-5-bromo-N-cyclopropyl-N-(2-methylpropyl)aniline
CID 55001986
2-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol
CID 102631579
2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]cyclohexan-1-ol
CID 102631408
2-[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol
CID 102631647

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-5-bromo-N-methylanilino]cyclohexan-1-ol?
The IUPAC name of 2-[2-(aminomethyl)-5-bromo-N-methylanilino]cyclohexan-1-ol (CID 102631472) is 2-[2-(aminomethyl)-5-bromo-N-methylanilino]cyclohexan-1-ol.
What is the SMILES notation for 2-[2-(aminomethyl)-5-bromo-N-methylanilino]cyclohexan-1-ol?
The canonical SMILES for 2-[2-(aminomethyl)-5-bromo-N-methylanilino]cyclohexan-1-ol is CN(c1cc(Br)ccc1CN)C1CCCCC1O.
What is the InChIKey of 2-[2-(aminomethyl)-5-bromo-N-methylanilino]cyclohexan-1-ol?
The InChIKey is PJDLWTQTVMIZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-17(12-4-2-3-5-14(12)18)13-8-11(15)7-6-10(13)9-16/h6-8,12,14,18H,2-5,9,16H2,1H3.
What are the key properties of 2-[2-(aminomethyl)-5-bromo-N-methylanilino]cyclohexan-1-ol?
2-[2-(aminomethyl)-5-bromo-N-methylanilino]cyclohexan-1-ol has a molecular weight of 313.24 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-5-bromo-N-methylanilino]cyclohexan-1-ol is sourced from PubChem (CID 102631472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).