2-[[2-(aminomethyl)-4-fluorophenyl]methyl-methylamino]cyclohexan-1-ol

C15H23FN2O — CID 102631680

IUPAC2-[[2-(aminomethyl)-4-fluorophenyl]methyl-methylamino]cyclohexan-1-ol
SMILESCN(Cc1ccc(F)cc1CN)C1CCCCC1O
InChIInChI=1S/C15H23FN2O/c1-18(14-4-2-3-5-15(14)19)10-11-6-7-13(16)8-12(11)9-17/h6-8,14-15,19H,2-5,9-10,17H2,1H3
InChIKeyUYQFJKJLWCDCOL-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.02
Rot. Bonds4

About 2-[[2-(aminomethyl)-4-fluorophenyl]methyl-methylamino]cyclohexan-1-ol

2-[[2-(aminomethyl)-4-fluorophenyl]methyl-methylamino]cyclohexan-1-ol (PubChem CID 102631680) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-4-fluorophenyl]methyl-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-4-fluorophenyl]methyl-methylamino]cyclohexan-1-ol
PubChem CID102631680
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-[[2-(aminomethyl)-4-fluorophenyl]methyl-methylamino]cyclohexan-1-ol
SMILESCN(Cc1ccc(F)cc1CN)C1CCCCC1O
InChIInChI=1S/C15H23FN2O/c1-18(14-4-2-3-5-15(14)19)10-11-6-7-13(16)8-12(11)9-17/h6-8,14-15,19H,2-5,9-10,17H2,1H3
InChIKeyUYQFJKJLWCDCOL-UHFFFAOYSA-N
XLogP2.02
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]cyclohexan-1-ol
CID 102636476
N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N,2-dimethylcyclohexan-1-amine
CID 64770644
2-[(3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol
CID 60714854
N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N,4-dimethylcyclohexan-1-amine
CID 64770083
4-fluoro-2-[[methyl-(2-methylcyclohexyl)amino]methyl]benzenecarbothioamide
CID 64763943
2-[(2-chloro-3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol
CID 102636615
2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 102637410
N-[(2-bromo-4-fluorophenyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 55192224
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
2-[2-(aminomethyl)-5-bromo-N-methylanilino]cyclohexan-1-ol
CID 102631472
N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79303973
N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 63289590

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-4-fluorophenyl]methyl-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[[2-(aminomethyl)-4-fluorophenyl]methyl-methylamino]cyclohexan-1-ol (CID 102631680) is 2-[[2-(aminomethyl)-4-fluorophenyl]methyl-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[2-(aminomethyl)-4-fluorophenyl]methyl-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[[2-(aminomethyl)-4-fluorophenyl]methyl-methylamino]cyclohexan-1-ol is CN(Cc1ccc(F)cc1CN)C1CCCCC1O.
What is the InChIKey of 2-[[2-(aminomethyl)-4-fluorophenyl]methyl-methylamino]cyclohexan-1-ol?
The InChIKey is UYQFJKJLWCDCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-18(14-4-2-3-5-15(14)19)10-11-6-7-13(16)8-12(11)9-17/h6-8,14-15,19H,2-5,9-10,17H2,1H3.
What are the key properties of 2-[[2-(aminomethyl)-4-fluorophenyl]methyl-methylamino]cyclohexan-1-ol?
2-[[2-(aminomethyl)-4-fluorophenyl]methyl-methylamino]cyclohexan-1-ol has a molecular weight of 266.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-4-fluorophenyl]methyl-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102631680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).