2-(aminomethyl)-3-(2-bromophenyl)-2-(3,5-difluorophenyl)propan-1-ol

C16H16BrF2NO — CID 106506992

IUPAC2-(aminomethyl)-3-(2-bromophenyl)-2-(3,5-difluorophenyl)propan-1-ol
SMILESNCC(CO)(Cc1ccccc1Br)c1cc(F)cc(F)c1
InChIInChI=1S/C16H16BrF2NO/c17-15-4-2-1-3-11(15)8-16(9-20,10-21)12-5-13(18)7-14(19)6-12/h1-7,21H,8-10,20H2
InChIKeyYZXGSYOODMKBTB-UHFFFAOYSA-N
MW356.21 g/mol
LogP3.16
Rot. Bonds5

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

2-(aminomethyl)-3-(2-bromophenyl)-2-(3,5-difluorophenyl)propan-1-ol (PubChem CID 106506992) has the molecular formula C16H16BrF2NO and a molecular weight of 356.21 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(2-bromophenyl)-2-(3,5-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(2-bromophenyl)-2-(3,5-difluorophenyl)propan-1-ol
PubChem CID106506992
Molecular FormulaC16H16BrF2NO
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC Name2-(aminomethyl)-3-(2-bromophenyl)-2-(3,5-difluorophenyl)propan-1-ol
SMILESNCC(CO)(Cc1ccccc1Br)c1cc(F)cc(F)c1
InChIInChI=1S/C16H16BrF2NO/c17-15-4-2-1-3-11(15)8-16(9-20,10-21)12-5-13(18)7-14(19)6-12/h1-7,21H,8-10,20H2
InChIKeyYZXGSYOODMKBTB-UHFFFAOYSA-N
XLogP3.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-(2-bromophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 106507116
2-(aminomethyl)-3-(2-bromo-5-fluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 106507264
2-(aminomethyl)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)propan-1-ol
CID 106506993
2-(aminomethyl)-3-(3-bromo-5-fluorophenyl)-2-phenylpropan-1-ol
CID 106508102
2-[(2-bromo-4-fluorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol
CID 79445085
2-(aminomethyl)-3-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-ol
CID 106508157
2-[(2-bromophenyl)methyl]-2-phenylbutan-1-ol
CID 66059776
2-(aminomethyl)-3-(3-bromo-4-fluorophenyl)-2-phenylpropan-1-ol
CID 106508120
2-(aminomethyl)-3-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-1-ol
CID 106506959
2-(aminomethyl)-3-(2-fluorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 106508546
2-(aminomethyl)-3-(3-fluorophenyl)-2-phenylpropan-1-ol
CID 106508050
2-(aminomethyl)-3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propan-1-ol
CID 106507097

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(2-bromophenyl)-2-(3,5-difluorophenyl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(2-bromophenyl)-2-(3,5-difluorophenyl)propan-1-ol (CID 106506992) is 2-(aminomethyl)-3-(2-bromophenyl)-2-(3,5-difluorophenyl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(2-bromophenyl)-2-(3,5-difluorophenyl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(2-bromophenyl)-2-(3,5-difluorophenyl)propan-1-ol is NCC(CO)(Cc1ccccc1Br)c1cc(F)cc(F)c1.
What is the InChIKey of 2-(aminomethyl)-3-(2-bromophenyl)-2-(3,5-difluorophenyl)propan-1-ol?
The InChIKey is YZXGSYOODMKBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2NO/c17-15-4-2-1-3-11(15)8-16(9-20,10-21)12-5-13(18)7-14(19)6-12/h1-7,21H,8-10,20H2.
What are the key properties of 2-(aminomethyl)-3-(2-bromophenyl)-2-(3,5-difluorophenyl)propan-1-ol?
2-(aminomethyl)-3-(2-bromophenyl)-2-(3,5-difluorophenyl)propan-1-ol has a molecular weight of 356.21 g/mol, XLogP of 3.16, 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-bromophenyl)-2-(3,5-difluorophenyl)propan-1-ol is sourced from PubChem (CID 106506992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).