2-(aminomethyl)-3-(2,5-dichlorophenyl)-2-(2-fluorophenyl)propan-1-ol

C16H16Cl2FNO — CID 106507193

IUPAC2-(aminomethyl)-3-(2,5-dichlorophenyl)-2-(2-fluorophenyl)propan-1-ol
SMILESNCC(CO)(Cc1cc(Cl)ccc1Cl)c1ccccc1F
InChIInChI=1S/C16H16Cl2FNO/c17-12-5-6-14(18)11(7-12)8-16(9-20,10-21)13-3-1-2-4-15(13)19/h1-7,21H,8-10,20H2
InChIKeyQGTOAWJEUBQDSR-UHFFFAOYSA-N
MW328.21 g/mol
LogP3.56
Rot. Bonds5

About 2-(aminomethyl)-3-(2,5-dichlorophenyl)-2-(2-fluorophenyl)propan-1-ol

2-(aminomethyl)-3-(2,5-dichlorophenyl)-2-(2-fluorophenyl)propan-1-ol (PubChem CID 106507193) has the molecular formula C16H16Cl2FNO and a molecular weight of 328.21 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(2,5-dichlorophenyl)-2-(2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(2,5-dichlorophenyl)-2-(2-fluorophenyl)propan-1-ol
PubChem CID106507193
Molecular FormulaC16H16Cl2FNO
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name2-(aminomethyl)-3-(2,5-dichlorophenyl)-2-(2-fluorophenyl)propan-1-ol
SMILESNCC(CO)(Cc1cc(Cl)ccc1Cl)c1ccccc1F
InChIInChI=1S/C16H16Cl2FNO/c17-12-5-6-14(18)11(7-12)8-16(9-20,10-21)13-3-1-2-4-15(13)19/h1-7,21H,8-10,20H2
InChIKeyQGTOAWJEUBQDSR-UHFFFAOYSA-N
XLogP3.56
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-(2-chlorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 106507262
2-[(2-chloro-5-fluorophenyl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
CID 102621542
2-(aminomethyl)-3-(2-bromo-5-fluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 106507264
2-(aminomethyl)-3-(2,6-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 106507202
2-(aminomethyl)-3-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-ol
CID 106508157
2-[(2,5-dichlorophenyl)methyl]-2-phenylbutan-1-ol
CID 66058930
2-(aminomethyl)-3-(2-chloro-6-fluorophenyl)-2-(2-methylphenyl)propan-1-ol
CID 106506065
2-(aminomethyl)-3-(3-chlorophenyl)-2-(2-methylphenyl)propan-1-ol
CID 106506068
1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 103047475
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
2-[(2-chloro-5-fluorophenyl)methyl]-2-phenylbutan-1-ol
CID 102621164

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(2,5-dichlorophenyl)-2-(2-fluorophenyl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(2,5-dichlorophenyl)-2-(2-fluorophenyl)propan-1-ol (CID 106507193) is 2-(aminomethyl)-3-(2,5-dichlorophenyl)-2-(2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(2,5-dichlorophenyl)-2-(2-fluorophenyl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(2,5-dichlorophenyl)-2-(2-fluorophenyl)propan-1-ol is NCC(CO)(Cc1cc(Cl)ccc1Cl)c1ccccc1F.
What is the InChIKey of 2-(aminomethyl)-3-(2,5-dichlorophenyl)-2-(2-fluorophenyl)propan-1-ol?
The InChIKey is QGTOAWJEUBQDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FNO/c17-12-5-6-14(18)11(7-12)8-16(9-20,10-21)13-3-1-2-4-15(13)19/h1-7,21H,8-10,20H2.
What are the key properties of 2-(aminomethyl)-3-(2,5-dichlorophenyl)-2-(2-fluorophenyl)propan-1-ol?
2-(aminomethyl)-3-(2,5-dichlorophenyl)-2-(2-fluorophenyl)propan-1-ol has a molecular weight of 328.21 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(2,5-dichlorophenyl)-2-(2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 106507193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).