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

C11H16BrNO — CID 93082223

IUPAC(2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol
SMILESC[C@H](NC[C@@H](C)O)c1cccc(Br)c1
InChIInChI=1S/C11H16BrNO/c1-8(14)7-13-9(2)10-4-3-5-11(12)6-10/h3-6,8-9,13-14H,7H2,1-2H3/t8-,9+/m1/s1
InChIKeyNDMYKRPJFLWFEB-BDAKNGLRSA-N
MW258.16 g/mol
LogP2.48
Rot. Bonds4

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

(2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol (PubChem CID 93082223) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is (2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol
PubChem CID93082223
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name(2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol
SMILESC[C@H](NC[C@@H](C)O)c1cccc(Br)c1
InChIInChI=1S/C11H16BrNO/c1-8(14)7-13-9(2)10-4-3-5-11(12)6-10/h3-6,8-9,13-14H,7H2,1-2H3/t8-,9+/m1/s1
InChIKeyNDMYKRPJFLWFEB-BDAKNGLRSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-[[(1S)-1-(3-bromophenyl)ethyl]amino]butan-2-ol
CID 96784164
3-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1,1,1-trifluoropropan-2-ol
CID 81381755
(2R)-1-[[(1R)-1-(3-bromophenyl)propyl]amino]propan-2-ol
CID 93288110
1-(3-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 63867516
1-[[(1S)-1-(3-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol
CID 81381420
1-(3-bromophenyl)-2-[1-(4-bromophenyl)ethylamino]ethanol
CID 60734196
(2R)-1-[[(1R)-1-(3-methylphenyl)ethyl]amino]propan-2-ol
CID 93288092
1-[[(1S)-1-(3-bromophenyl)ethyl]amino]-3-propan-2-yloxypropan-2-ol
CID 81381416
1-[1-(3-chlorophenyl)ethylamino]propan-2-ol
CID 43499317
(2R)-1-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol
CID 93081927
methyl 3-[[(1R)-1-(3-bromophenyl)ethyl]amino]-2-methylpropanoate
CID 81381770
2-amino-3-[[(1R)-1-(3-bromophenyl)ethyl]amino]propanoic acid
CID 103257311

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol (CID 93082223) is (2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol is C[C@H](NC[C@@H](C)O)c1cccc(Br)c1.
What is the InChIKey of (2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol?
The InChIKey is NDMYKRPJFLWFEB-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-8(14)7-13-9(2)10-4-3-5-11(12)6-10/h3-6,8-9,13-14H,7H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of (2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol?
(2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol has a molecular weight of 258.16 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol is sourced from PubChem (CID 93082223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).