2-(aminomethyl)-3-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-ol

C16H17ClFNO — CID 106508157

IUPAC2-(aminomethyl)-3-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-ol
SMILESNCC(CO)(Cc1cc(F)ccc1Cl)c1ccccc1
InChIInChI=1S/C16H17ClFNO/c17-15-7-6-14(18)8-12(15)9-16(10-19,11-20)13-4-2-1-3-5-13/h1-8,20H,9-11,19H2
InChIKeyDHUFPVDKLSOSTI-UHFFFAOYSA-N
MW293.77 g/mol
LogP2.91
Rot. Bonds5

About 2-(aminomethyl)-3-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-ol

2-(aminomethyl)-3-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-ol (PubChem CID 106508157) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-ol
PubChem CID106508157
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name2-(aminomethyl)-3-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-ol
SMILESNCC(CO)(Cc1cc(F)ccc1Cl)c1ccccc1
InChIInChI=1S/C16H17ClFNO/c17-15-7-6-14(18)8-12(15)9-16(10-19,11-20)13-4-2-1-3-5-13/h1-8,20H,9-11,19H2
InChIKeyDHUFPVDKLSOSTI-UHFFFAOYSA-N
XLogP2.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-5-fluorophenyl)methyl]-2-phenylbutan-1-ol
CID 102621164
2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-1-chloro-4-fluorobenzene
CID 102621610
2-[(2-chloro-5-fluorophenyl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
CID 102621542
2-(aminomethyl)-3-(2,5-dichlorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 106507193
2-(aminomethyl)-3-(3-fluorophenyl)-2-phenylpropan-1-ol
CID 106508050
2-[(2,5-dichlorophenyl)methyl]-2-phenylbutan-1-ol
CID 66058930
2-(aminomethyl)-3-(3-bromo-5-fluorophenyl)-2-phenylpropan-1-ol
CID 106508102
2-(aminomethyl)-3-(2-bromophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 106507116
2-(aminomethyl)-3-(2-chlorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 106507262
2-(4-chlorophenyl)-2-[(2,5-difluorophenyl)methyl]propane-1,3-diol
CID 79444445
2-(aminomethyl)-3-(4-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 106507025
2-(aminomethyl)-3-(2-bromophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 106506992

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-ol (CID 106508157) is 2-(aminomethyl)-3-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-ol is NCC(CO)(Cc1cc(F)ccc1Cl)c1ccccc1.
What is the InChIKey of 2-(aminomethyl)-3-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-ol?
The InChIKey is DHUFPVDKLSOSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c17-15-7-6-14(18)8-12(15)9-16(10-19,11-20)13-4-2-1-3-5-13/h1-8,20H,9-11,19H2.
What are the key properties of 2-(aminomethyl)-3-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-ol?
2-(aminomethyl)-3-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-ol has a molecular weight of 293.77 g/mol, XLogP of 2.91, 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-chloro-5-fluorophenyl)-2-phenylpropan-1-ol is sourced from PubChem (CID 106508157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).