2-(aminomethyl)-3-(5-bromo-2-fluorophenyl)-2-(3-methylphenyl)propan-1-ol

C17H19BrFNO — CID 106507335

IUPAC2-(aminomethyl)-3-(5-bromo-2-fluorophenyl)-2-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(CN)(CO)Cc2cc(Br)ccc2F)c1
InChIInChI=1S/C17H19BrFNO/c1-12-3-2-4-14(7-12)17(10-20,11-21)9-13-8-15(18)5-6-16(13)19/h2-8,21H,9-11,20H2,1H3
InChIKeyIFSGYGLHZYRPLW-UHFFFAOYSA-N
MW352.25 g/mol
LogP3.33
Rot. Bonds5

About 2-(aminomethyl)-3-(5-bromo-2-fluorophenyl)-2-(3-methylphenyl)propan-1-ol

2-(aminomethyl)-3-(5-bromo-2-fluorophenyl)-2-(3-methylphenyl)propan-1-ol (PubChem CID 106507335) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(5-bromo-2-fluorophenyl)-2-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(5-bromo-2-fluorophenyl)-2-(3-methylphenyl)propan-1-ol
PubChem CID106507335
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC Name2-(aminomethyl)-3-(5-bromo-2-fluorophenyl)-2-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(CN)(CO)Cc2cc(Br)ccc2F)c1
InChIInChI=1S/C17H19BrFNO/c1-12-3-2-4-14(7-12)17(10-20,11-21)9-13-8-15(18)5-6-16(13)19/h2-8,21H,9-11,20H2,1H3
InChIKeyIFSGYGLHZYRPLW-UHFFFAOYSA-N
XLogP3.33
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromo-2-fluorophenyl)methyl]-2-(3-methylphenyl)propane-1,3-diol
CID 79444863
2-(aminomethyl)-3-(3-bromophenyl)-2-(3-methylphenyl)propan-1-ol
CID 106507304
2-(aminomethyl)-3-(3,5-difluorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 106507369
2-[(3-bromo-4-fluorophenyl)methyl]-2-(3-methylphenyl)propane-1,3-diol
CID 79444855
2-(aminomethyl)-3-(2-bromophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 106507116
2-(aminomethyl)-3-(2-fluorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 106508546
2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-ol
CID 106507337
1-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)propan-2-amine
CID 63408364
2-(aminomethyl)-2-(3-methylphenyl)hexan-1-ol
CID 106507318
2-(3-bromophenyl)-2-[(2-chloro-4-methylphenyl)methyl]propane-1,3-diol
CID 106870763
2-(aminomethyl)-3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propan-1-ol
CID 106507097
1-(5-bromo-2-fluorophenyl)-2-phenylpropan-2-amine
CID 55096060

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(5-bromo-2-fluorophenyl)-2-(3-methylphenyl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(5-bromo-2-fluorophenyl)-2-(3-methylphenyl)propan-1-ol (CID 106507335) is 2-(aminomethyl)-3-(5-bromo-2-fluorophenyl)-2-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(5-bromo-2-fluorophenyl)-2-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(5-bromo-2-fluorophenyl)-2-(3-methylphenyl)propan-1-ol is Cc1cccc(C(CN)(CO)Cc2cc(Br)ccc2F)c1.
What is the InChIKey of 2-(aminomethyl)-3-(5-bromo-2-fluorophenyl)-2-(3-methylphenyl)propan-1-ol?
The InChIKey is IFSGYGLHZYRPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-12-3-2-4-14(7-12)17(10-20,11-21)9-13-8-15(18)5-6-16(13)19/h2-8,21H,9-11,20H2,1H3.
What are the key properties of 2-(aminomethyl)-3-(5-bromo-2-fluorophenyl)-2-(3-methylphenyl)propan-1-ol?
2-(aminomethyl)-3-(5-bromo-2-fluorophenyl)-2-(3-methylphenyl)propan-1-ol has a molecular weight of 352.25 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(5-bromo-2-fluorophenyl)-2-(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 106507335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).