(2R)-2-[1-(2-bromophenyl)propylamino]propan-1-ol

C12H18BrNO — CID 103778600

IUPAC(2R)-2-[1-(2-bromophenyl)propylamino]propan-1-ol
SMILESCCC(N[C@H](C)CO)c1ccccc1Br
InChIInChI=1S/C12H18BrNO/c1-3-12(14-9(2)8-15)10-6-4-5-7-11(10)13/h4-7,9,12,14-15H,3,8H2,1-2H3/t9-,12?/m1/s1
InChIKeyFOAYTJLTEMBCRD-PKEIRNPWSA-N
MW272.19 g/mol
LogP2.87
Rot. Bonds5

About (2R)-2-[1-(2-bromophenyl)propylamino]propan-1-ol

(2R)-2-[1-(2-bromophenyl)propylamino]propan-1-ol (PubChem CID 103778600) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is (2R)-2-[1-(2-bromophenyl)propylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[1-(2-bromophenyl)propylamino]propan-1-ol
PubChem CID103778600
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name(2R)-2-[1-(2-bromophenyl)propylamino]propan-1-ol
SMILESCCC(N[C@H](C)CO)c1ccccc1Br
InChIInChI=1S/C12H18BrNO/c1-3-12(14-9(2)8-15)10-6-4-5-7-11(10)13/h4-7,9,12,14-15H,3,8H2,1-2H3/t9-,12?/m1/s1
InChIKeyFOAYTJLTEMBCRD-PKEIRNPWSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]propyl]phenol
CID 114983222
2-[1-(2-bromophenyl)propylamino]ethanol
CID 115707470
2-[1-[1-(2-bromophenyl)ethylamino]propyl]phenol
CID 43680009
(2S)-2-(2-bromophenyl)-2-(methylamino)ethanol
CID 93471242
(2R)-2-[[(1S)-1-(3-chloro-2-fluorophenyl)propyl]amino]propan-1-ol
CID 99636952
(2S)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propan-1-ol
CID 93082647
2-[1-(2,4-dichlorophenyl)propylamino]propan-1-ol
CID 43503458
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine
CID 81383700
(2R)-2-[[(1S)-1-(4-fluorophenyl)propyl]amino]propan-1-ol
CID 93082731
3-(2-bromophenyl)-3-(methylamino)propan-1-ol
CID 64815328
N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)propan-1-amine
CID 43680068
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine
CID 81378982

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(2-bromophenyl)propylamino]propan-1-ol?
The IUPAC name of (2R)-2-[1-(2-bromophenyl)propylamino]propan-1-ol (CID 103778600) is (2R)-2-[1-(2-bromophenyl)propylamino]propan-1-ol.
What is the SMILES notation for (2R)-2-[1-(2-bromophenyl)propylamino]propan-1-ol?
The canonical SMILES for (2R)-2-[1-(2-bromophenyl)propylamino]propan-1-ol is CCC(N[C@H](C)CO)c1ccccc1Br.
What is the InChIKey of (2R)-2-[1-(2-bromophenyl)propylamino]propan-1-ol?
The InChIKey is FOAYTJLTEMBCRD-PKEIRNPWSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-3-12(14-9(2)8-15)10-6-4-5-7-11(10)13/h4-7,9,12,14-15H,3,8H2,1-2H3/t9-,12?/m1/s1.
What are the key properties of (2R)-2-[1-(2-bromophenyl)propylamino]propan-1-ol?
(2R)-2-[1-(2-bromophenyl)propylamino]propan-1-ol has a molecular weight of 272.19 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(2-bromophenyl)propylamino]propan-1-ol is sourced from PubChem (CID 103778600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).