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

C12H16BrNO — CID 117242819

IUPAC2-(3-bromophenyl)-3-(cyclopropylamino)propan-1-ol
SMILESOCC(CNC1CC1)c1cccc(Br)c1
InChIInChI=1S/C12H16BrNO/c13-11-3-1-2-9(6-11)10(8-15)7-14-12-4-5-12/h1-3,6,10,12,14-15H,4-5,7-8H2
InChIKeyMOYQNQBXUGXEMN-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.28
Rot. Bonds5

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

2-(3-bromophenyl)-3-(cyclopropylamino)propan-1-ol (PubChem CID 117242819) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-(cyclopropylamino)propan-1-ol.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-(cyclopropylamino)propan-1-ol
PubChem CID117242819
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-(3-bromophenyl)-3-(cyclopropylamino)propan-1-ol
SMILESOCC(CNC1CC1)c1cccc(Br)c1
InChIInChI=1S/C12H16BrNO/c13-11-3-1-2-9(6-11)10(8-15)7-14-12-4-5-12/h1-3,6,10,12,14-15H,4-5,7-8H2
InChIKeyMOYQNQBXUGXEMN-UHFFFAOYSA-N
XLogP2.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-bromophenyl)-5-methylhexyl]cyclopropanamine
CID 79443132
N-[2-(3-bromophenyl)-3-(oxan-4-yl)propyl]cyclopropanamine
CID 79442605
2-(3-bromophenyl)-3-cyclopentylpropan-1-ol
CID 79443530
N-[2-(3-bromophenyl)-6-methoxyhexyl]cyclopropanamine
CID 104649495
N-[2-(3-bromophenyl)-3-(furan-3-yl)propyl]cyclopropanamine
CID 83182710
N-[2-(3-bromophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine
CID 79430577
N-[2-(3-bromophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine
CID 103183703
N-[2-(3-bromophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine
CID 79443583
N-[2-(3-bromophenyl)-2-cyclobutyloxyethyl]cyclopropanamine
CID 62382196
N-[2-(3-bromophenyl)-2-(cyclopropylmethoxy)ethyl]cyclopropanamine
CID 62108746
3-(cyclopropylamino)-2-(4-fluorophenyl)propan-1-ol
CID 117244719
1-[1-(3-bromophenyl)-2-(cyclohexylamino)ethyl]cyclohexan-1-ol;hydrochloride
CID 11596858

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-(cyclopropylamino)propan-1-ol?
The IUPAC name of 2-(3-bromophenyl)-3-(cyclopropylamino)propan-1-ol (CID 117242819) is 2-(3-bromophenyl)-3-(cyclopropylamino)propan-1-ol.
What is the SMILES notation for 2-(3-bromophenyl)-3-(cyclopropylamino)propan-1-ol?
The canonical SMILES for 2-(3-bromophenyl)-3-(cyclopropylamino)propan-1-ol is OCC(CNC1CC1)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-3-(cyclopropylamino)propan-1-ol?
The InChIKey is MOYQNQBXUGXEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c13-11-3-1-2-9(6-11)10(8-15)7-14-12-4-5-12/h1-3,6,10,12,14-15H,4-5,7-8H2.
What are the key properties of 2-(3-bromophenyl)-3-(cyclopropylamino)propan-1-ol?
2-(3-bromophenyl)-3-(cyclopropylamino)propan-1-ol has a molecular weight of 270.17 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-(cyclopropylamino)propan-1-ol is sourced from PubChem (CID 117242819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).