2-(aminomethyl)-2-[(5-chloro-2-fluorophenyl)methyl]pentan-1-ol

C13H19ClFNO — CID 106506364

IUPAC2-(aminomethyl)-2-[(5-chloro-2-fluorophenyl)methyl]pentan-1-ol
SMILESCCCC(CN)(CO)Cc1cc(Cl)ccc1F
InChIInChI=1S/C13H19ClFNO/c1-2-5-13(8-16,9-17)7-10-6-11(14)3-4-12(10)15/h3-4,6,17H,2,5,7-9,16H2,1H3
InChIKeyGEPHWWHZFJFQIQ-UHFFFAOYSA-N
MW259.75 g/mol
LogP2.76
Rot. Bonds6

About 2-(aminomethyl)-2-[(5-chloro-2-fluorophenyl)methyl]pentan-1-ol

2-(aminomethyl)-2-[(5-chloro-2-fluorophenyl)methyl]pentan-1-ol (PubChem CID 106506364) has the molecular formula C13H19ClFNO and a molecular weight of 259.75 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[(5-chloro-2-fluorophenyl)methyl]pentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-[(5-chloro-2-fluorophenyl)methyl]pentan-1-ol
PubChem CID106506364
Molecular FormulaC13H19ClFNO
Molecular Weight259.75 g/mol
Exact Mass259.11
IUPAC Name2-(aminomethyl)-2-[(5-chloro-2-fluorophenyl)methyl]pentan-1-ol
SMILESCCCC(CN)(CO)Cc1cc(Cl)ccc1F
InChIInChI=1S/C13H19ClFNO/c1-2-5-13(8-16,9-17)7-10-6-11(14)3-4-12(10)15/h3-4,6,17H,2,5,7-9,16H2,1H3
InChIKeyGEPHWWHZFJFQIQ-UHFFFAOYSA-N
XLogP2.76
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.75
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-2-[(2-chlorophenyl)methyl]pentan-1-ol
CID 106506462
3-[(5-chloro-2-fluorophenyl)methyl]heptan-3-amine
CID 103050992
2-[(5-chloro-2-fluorophenyl)methyl]-2-methylpentanoic acid
CID 103047305
2-[(2,5-difluorophenyl)methyl]-2-ethylbutan-1-ol
CID 66059134
1-(5-chloro-2-fluorophenyl)-2-phenylpentan-2-amine
CID 103047860
2-(aminomethyl)-3-(5-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol
CID 106506528
2-(aminomethyl)-2-[(3-methylphenyl)methyl]pentan-1-ol
CID 106506324
2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethylhexan-1-ol
CID 66059544
2-[(5-chloro-2-fluorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
CID 103049706
2-[(5-chloro-2-fluorophenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol
CID 103051451
2-[(2-chloro-6-fluorophenyl)methyl]-2-propylpropane-1,3-diol
CID 79450730
2-(aminomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-ol
CID 106506478

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[(5-chloro-2-fluorophenyl)methyl]pentan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-[(5-chloro-2-fluorophenyl)methyl]pentan-1-ol (CID 106506364) is 2-(aminomethyl)-2-[(5-chloro-2-fluorophenyl)methyl]pentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-[(5-chloro-2-fluorophenyl)methyl]pentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-[(5-chloro-2-fluorophenyl)methyl]pentan-1-ol is CCCC(CN)(CO)Cc1cc(Cl)ccc1F.
What is the InChIKey of 2-(aminomethyl)-2-[(5-chloro-2-fluorophenyl)methyl]pentan-1-ol?
The InChIKey is GEPHWWHZFJFQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFNO/c1-2-5-13(8-16,9-17)7-10-6-11(14)3-4-12(10)15/h3-4,6,17H,2,5,7-9,16H2,1H3.
What are the key properties of 2-(aminomethyl)-2-[(5-chloro-2-fluorophenyl)methyl]pentan-1-ol?
2-(aminomethyl)-2-[(5-chloro-2-fluorophenyl)methyl]pentan-1-ol has a molecular weight of 259.75 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[(5-chloro-2-fluorophenyl)methyl]pentan-1-ol is sourced from PubChem (CID 106506364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).