2-(aminomethyl)-2-(3,5-difluorophenyl)octan-1-ol

C15H23F2NO — CID 106506958

IUPAC2-(aminomethyl)-2-(3,5-difluorophenyl)octan-1-ol
SMILESCCCCCCC(CN)(CO)c1cc(F)cc(F)c1
InChIInChI=1S/C15H23F2NO/c1-2-3-4-5-6-15(10-18,11-19)12-7-13(16)9-14(17)8-12/h7-9,19H,2-6,10-11,18H2,1H3
InChIKeyRYXPRXLZFACCRX-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.12
Rot. Bonds8

About 2-(aminomethyl)-2-(3,5-difluorophenyl)octan-1-ol

2-(aminomethyl)-2-(3,5-difluorophenyl)octan-1-ol (PubChem CID 106506958) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(3,5-difluorophenyl)octan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-(3,5-difluorophenyl)octan-1-ol
PubChem CID106506958
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC Name2-(aminomethyl)-2-(3,5-difluorophenyl)octan-1-ol
SMILESCCCCCCC(CN)(CO)c1cc(F)cc(F)c1
InChIInChI=1S/C15H23F2NO/c1-2-3-4-5-6-15(10-18,11-19)12-7-13(16)9-14(17)8-12/h7-9,19H,2-6,10-11,18H2,1H3
InChIKeyRYXPRXLZFACCRX-UHFFFAOYSA-N
XLogP3.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-2-(4-methylphenyl)undecan-1-ol
CID 106508544
2-(3-fluorophenyl)-2-pentylpropane-1,3-diol
CID 79449979
2-(aminomethyl)-2-(3,5-difluorophenyl)-4-methylsulfonylbutan-1-ol
CID 106506974
2-(3,5-difluorophenyl)-2-ethylbutan-1-amine
CID 61496563
2-(aminomethyl)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)propan-1-ol
CID 106506993
2-(aminomethyl)-2-(3-methylphenyl)hexan-1-ol
CID 106507318
2-(aminomethyl)-2-(4-fluorophenyl)-6-methylheptan-1-ol
CID 106505955
1-[1-chloro-2-(chloromethyl)octan-2-yl]-3-fluorobenzene
CID 79453317
2-heptyl-2-(4-methylphenyl)propane-1,3-diol
CID 79450135
2-(aminomethyl)-2-(4-fluorophenyl)-4-propoxybutan-1-ol
CID 106505989
2-ethyl-2-phenyldecan-1-ol
CID 66058928
2-ethyl-2-phenylnonan-1-ol
CID 66057887

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(3,5-difluorophenyl)octan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-(3,5-difluorophenyl)octan-1-ol (CID 106506958) is 2-(aminomethyl)-2-(3,5-difluorophenyl)octan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-(3,5-difluorophenyl)octan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-(3,5-difluorophenyl)octan-1-ol is CCCCCCC(CN)(CO)c1cc(F)cc(F)c1.
What is the InChIKey of 2-(aminomethyl)-2-(3,5-difluorophenyl)octan-1-ol?
The InChIKey is RYXPRXLZFACCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-2-3-4-5-6-15(10-18,11-19)12-7-13(16)9-14(17)8-12/h7-9,19H,2-6,10-11,18H2,1H3.
What are the key properties of 2-(aminomethyl)-2-(3,5-difluorophenyl)octan-1-ol?
2-(aminomethyl)-2-(3,5-difluorophenyl)octan-1-ol has a molecular weight of 271.35 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(3,5-difluorophenyl)octan-1-ol is sourced from PubChem (CID 106506958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).