(2R)-1-[[(1R)-1-(3-bromophenyl)propyl]amino]propan-2-ol

C12H18BrNO — CID 93288110

IUPAC(2R)-1-[[(1R)-1-(3-bromophenyl)propyl]amino]propan-2-ol
SMILESCC[C@@H](NC[C@@H](C)O)c1cccc(Br)c1
InChIInChI=1S/C12H18BrNO/c1-3-12(14-8-9(2)15)10-5-4-6-11(13)7-10/h4-7,9,12,14-15H,3,8H2,1-2H3/t9-,12-/m1/s1
InChIKeyPCDWQQZVTHJOFV-BXKDBHETSA-N
MW272.19 g/mol
LogP2.87
Rot. Bonds5

About (2R)-1-[[(1R)-1-(3-bromophenyl)propyl]amino]propan-2-ol

(2R)-1-[[(1R)-1-(3-bromophenyl)propyl]amino]propan-2-ol (PubChem CID 93288110) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is (2R)-1-[[(1R)-1-(3-bromophenyl)propyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(1R)-1-(3-bromophenyl)propyl]amino]propan-2-ol
PubChem CID93288110
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name(2R)-1-[[(1R)-1-(3-bromophenyl)propyl]amino]propan-2-ol
SMILESCC[C@@H](NC[C@@H](C)O)c1cccc(Br)c1
InChIInChI=1S/C12H18BrNO/c1-3-12(14-8-9(2)15)10-5-4-6-11(13)7-10/h4-7,9,12,14-15H,3,8H2,1-2H3/t9-,12-/m1/s1
InChIKeyPCDWQQZVTHJOFV-BXKDBHETSA-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

3-[1-(3-bromophenyl)propylamino]-1,1-difluoropropan-2-ol
CID 113262546
(2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol
CID 93082223
1-[1-(3-bromophenyl)propylamino]-2-methylpropan-2-ol
CID 65103778
N-[1-(3-bromophenyl)propyl]butan-2-amine
CID 43756359
N-[2-[1-(3-bromophenyl)propylamino]ethyl]-2-methylpropanamide
CID 43767682
N-[1-(3-bromophenyl)propyl]but-2-yn-1-amine
CID 115897043
N-[1-(3-bromophenyl)propyl]butan-1-amine
CID 43759360
N-[1-(3-bromophenyl)propyl]-3-methylbut-2-en-1-amine
CID 106180252
3-[1-(3-bromophenyl)propylamino]-2-methylbutan-1-ol
CID 113262006
1-[[1-(3-bromophenyl)propylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65115199
1-[1-(3-bromophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103904398
1-(3-bromophenyl)-N-(2-phenylethyl)propan-1-amine
CID 43761869

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(1R)-1-(3-bromophenyl)propyl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[[(1R)-1-(3-bromophenyl)propyl]amino]propan-2-ol (CID 93288110) is (2R)-1-[[(1R)-1-(3-bromophenyl)propyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[(1R)-1-(3-bromophenyl)propyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[[(1R)-1-(3-bromophenyl)propyl]amino]propan-2-ol is CC[C@@H](NC[C@@H](C)O)c1cccc(Br)c1.
What is the InChIKey of (2R)-1-[[(1R)-1-(3-bromophenyl)propyl]amino]propan-2-ol?
The InChIKey is PCDWQQZVTHJOFV-BXKDBHETSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-3-12(14-8-9(2)15)10-5-4-6-11(13)7-10/h4-7,9,12,14-15H,3,8H2,1-2H3/t9-,12-/m1/s1.
What are the key properties of (2R)-1-[[(1R)-1-(3-bromophenyl)propyl]amino]propan-2-ol?
(2R)-1-[[(1R)-1-(3-bromophenyl)propyl]amino]propan-2-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)-1-[[(1R)-1-(3-bromophenyl)propyl]amino]propan-2-ol is sourced from PubChem (CID 93288110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).