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

C10H14BrNO — CID 63216382

IUPAC2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol
SMILESNCC(CO)Cc1cccc(Br)c1
InChIInChI=1S/C10H14BrNO/c11-10-3-1-2-8(5-10)4-9(6-12)7-13/h1-3,5,9,13H,4,6-7,12H2
InChIKeyBWXWCNDLDYSPDC-UHFFFAOYSA-N
MW244.13 g/mol
LogP1.56
Rot. Bonds4

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

2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol (PubChem CID 63216382) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol
PubChem CID63216382
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol
SMILESNCC(CO)Cc1cccc(Br)c1
InChIInChI=1S/C10H14BrNO/c11-10-3-1-2-8(5-10)4-9(6-12)7-13/h1-3,5,9,13H,4,6-7,12H2
InChIKeyBWXWCNDLDYSPDC-UHFFFAOYSA-N
XLogP1.56
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol (CID 63216382) is 2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol is NCC(CO)Cc1cccc(Br)c1.
What is the InChIKey of 2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol?
The InChIKey is BWXWCNDLDYSPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c11-10-3-1-2-8(5-10)4-9(6-12)7-13/h1-3,5,9,13H,4,6-7,12H2.
What are the key properties of 2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol?
2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol has a molecular weight of 244.13 g/mol, XLogP of 1.56, 4 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)propan-1-ol is sourced from PubChem (CID 63216382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).