2-(aminomethyl)-3-(3-bromophenyl)-2-(3-methylphenyl)propan-1-ol

C17H20BrNO — CID 106507304

IUPAC2-(aminomethyl)-3-(3-bromophenyl)-2-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(CN)(CO)Cc2cccc(Br)c2)c1
InChIInChI=1S/C17H20BrNO/c1-13-4-2-6-15(8-13)17(11-19,12-20)10-14-5-3-7-16(18)9-14/h2-9,20H,10-12,19H2,1H3
InChIKeyYSXZNFIADYXCOF-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.19
Rot. Bonds5

About 2-(aminomethyl)-3-(3-bromophenyl)-2-(3-methylphenyl)propan-1-ol

2-(aminomethyl)-3-(3-bromophenyl)-2-(3-methylphenyl)propan-1-ol (PubChem CID 106507304) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(3-bromophenyl)-2-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(3-bromophenyl)-2-(3-methylphenyl)propan-1-ol
PubChem CID106507304
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name2-(aminomethyl)-3-(3-bromophenyl)-2-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(CN)(CO)Cc2cccc(Br)c2)c1
InChIInChI=1S/C17H20BrNO/c1-13-4-2-6-15(8-13)17(11-19,12-20)10-14-5-3-7-16(18)9-14/h2-9,20H,10-12,19H2,1H3
InChIKeyYSXZNFIADYXCOF-UHFFFAOYSA-N
XLogP3.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-(5-bromo-2-fluorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 106507335
2-(aminomethyl)-3-(3,5-difluorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 106507369
2-(aminomethyl)-2-(3-methylphenyl)hexan-1-ol
CID 106507318
2-benzyl-2-(3-bromophenyl)propane-1,3-diol
CID 79447171
2-[(3-bromo-4-fluorophenyl)methyl]-2-(3-methylphenyl)propane-1,3-diol
CID 79444855
2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-ol
CID 106507337
2-(aminomethyl)-4-butoxy-2-(3-methylphenyl)butan-1-ol
CID 106507309
2-[(4-bromo-2-fluorophenyl)methyl]-2-(3-methylphenyl)propane-1,3-diol
CID 79444863
2-[(3-bromophenyl)methyl]-2-(4-fluorophenyl)propane-1,3-diol
CID 79450772
2-(aminomethyl)-3-(3-fluorophenyl)-2-phenylpropan-1-ol
CID 106508050
2-(aminomethyl)-3-cyclopentyl-2-(3-methylphenyl)propan-1-ol
CID 106507357
2-(3-bromophenyl)-2-[(2-chloro-4-methylphenyl)methyl]propane-1,3-diol
CID 106870763

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(3-bromophenyl)-2-(3-methylphenyl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(3-bromophenyl)-2-(3-methylphenyl)propan-1-ol (CID 106507304) is 2-(aminomethyl)-3-(3-bromophenyl)-2-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(3-bromophenyl)-2-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(3-bromophenyl)-2-(3-methylphenyl)propan-1-ol is Cc1cccc(C(CN)(CO)Cc2cccc(Br)c2)c1.
What is the InChIKey of 2-(aminomethyl)-3-(3-bromophenyl)-2-(3-methylphenyl)propan-1-ol?
The InChIKey is YSXZNFIADYXCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-13-4-2-6-15(8-13)17(11-19,12-20)10-14-5-3-7-16(18)9-14/h2-9,20H,10-12,19H2,1H3.
What are the key properties of 2-(aminomethyl)-3-(3-bromophenyl)-2-(3-methylphenyl)propan-1-ol?
2-(aminomethyl)-3-(3-bromophenyl)-2-(3-methylphenyl)propan-1-ol has a molecular weight of 334.26 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(3-bromophenyl)-2-(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 106507304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).