2-(aminomethyl)-3-(2,6-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol

C16H16F3NO — CID 106507202

IUPAC2-(aminomethyl)-3-(2,6-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
SMILESNCC(CO)(Cc1c(F)cccc1F)c1ccccc1F
InChIInChI=1S/C16H16F3NO/c17-13-6-3-7-14(18)11(13)8-16(9-20,10-21)12-4-1-2-5-15(12)19/h1-7,21H,8-10,20H2
InChIKeyAZUFBPBBPLRLRN-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.54
Rot. Bonds5

About 2-(aminomethyl)-3-(2,6-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol

2-(aminomethyl)-3-(2,6-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol (PubChem CID 106507202) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(2,6-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(2,6-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
PubChem CID106507202
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-(aminomethyl)-3-(2,6-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
SMILESNCC(CO)(Cc1c(F)cccc1F)c1ccccc1F
InChIInChI=1S/C16H16F3NO/c17-13-6-3-7-14(18)11(13)8-16(9-20,10-21)12-4-1-2-5-15(12)19/h1-7,21H,8-10,20H2
InChIKeyAZUFBPBBPLRLRN-UHFFFAOYSA-N
XLogP2.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-(2-chloro-6-fluorophenyl)-2-(2-methylphenyl)propan-1-ol
CID 106506065
2-(aminomethyl)-3-(2-chlorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 106507262
2-(aminomethyl)-3-(2-bromo-5-fluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 106507264
2-(aminomethyl)-3-(2,5-dichlorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 106507193
2-(aminomethyl)-2-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-ol
CID 107053917
2-(aminomethyl)-2-(2-fluorophenyl)-6-methylheptan-1-ol
CID 106507214
1-(2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 114930965
1-(2,6-difluorophenyl)-2-(2-fluorophenyl)butan-2-ol
CID 114931152
2-amino-1,1-bis(2-fluorophenyl)ethanol
CID 139948069
(2S)-2-amino-2-(2-fluorophenyl)propan-1-ol
CID 90016000
2-(2-fluorophenyl)-2-pentylpropane-1,3-diol
CID 79447348
2-(2-fluorophenyl)-2-(3-methylbutyl)propane-1,3-diol
CID 79447347

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(2,6-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(2,6-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol (CID 106507202) is 2-(aminomethyl)-3-(2,6-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(2,6-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(2,6-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol is NCC(CO)(Cc1c(F)cccc1F)c1ccccc1F.
What is the InChIKey of 2-(aminomethyl)-3-(2,6-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol?
The InChIKey is AZUFBPBBPLRLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c17-13-6-3-7-14(18)11(13)8-16(9-20,10-21)12-4-1-2-5-15(12)19/h1-7,21H,8-10,20H2.
What are the key properties of 2-(aminomethyl)-3-(2,6-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol?
2-(aminomethyl)-3-(2,6-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol has a molecular weight of 295.30 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(2,6-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 106507202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).