(2S)-2-amino-2-(2,6-dibromophenyl)propan-1-ol

C9H11Br2NO — CID 131218128

IUPAC(2S)-2-amino-2-(2,6-dibromophenyl)propan-1-ol
SMILESC[C@@](N)(CO)c1c(Br)cccc1Br
InChIInChI=1S/C9H11Br2NO/c1-9(12,5-13)8-6(10)3-2-4-7(8)11/h2-4,13H,5,12H2,1H3/t9-/m1/s1
InChIKeyNSDUHKMBDCFHDU-SECBINFHSA-N
MW309.00 g/mol
LogP2.38
Rot. Bonds2

About (2S)-2-amino-2-(2,6-dibromophenyl)propan-1-ol

(2S)-2-amino-2-(2,6-dibromophenyl)propan-1-ol (PubChem CID 131218128) has the molecular formula C9H11Br2NO and a molecular weight of 309.00 g/mol. Its IUPAC name is (2S)-2-amino-2-(2,6-dibromophenyl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-2-(2,6-dibromophenyl)propan-1-ol
PubChem CID131218128
Molecular FormulaC9H11Br2NO
Molecular Weight309.00 g/mol
Exact Mass306.92
IUPAC Name(2S)-2-amino-2-(2,6-dibromophenyl)propan-1-ol
SMILESC[C@@](N)(CO)c1c(Br)cccc1Br
InChIInChI=1S/C9H11Br2NO/c1-9(12,5-13)8-6(10)3-2-4-7(8)11/h2-4,13H,5,12H2,1H3/t9-/m1/s1
InChIKeyNSDUHKMBDCFHDU-SECBINFHSA-N
XLogP2.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.00
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-2-(3-bromophenyl)propan-1-ol
CID 66931490
2-amino-2-(3-amino-4-bromophenyl)propan-1-ol
CID 130041605
2-amino-2-(2-fluoro-6-methylphenyl)propan-1-ol
CID 55294765
2-amino-2-(2-bromo-6-hydroxyphenyl)propanoic acid
CID 130041661
(2R)-2-amino-2-(2-methoxy-6-methylphenyl)propan-1-ol
CID 55268996
2-amino-5-(2-bromophenyl)sulfanyl-2-methylpentan-1-ol
CID 64819483
2-amino-2-(2-chlorophenyl)propan-1-ol
CID 54776181
2-(2-bromo-6-iodophenyl)propan-2-ol
CID 175668409
(2S)-2-amino-2-(4-bromo-3-chlorophenyl)propan-1-ol
CID 130721867
2-amino-3-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 64819740
2-amino-2-(3-ethylphenyl)propan-1-ol
CID 55294945
(2R)-2-amino-2-(2,6-difluoro-3-methylphenyl)propan-1-ol
CID 130691213

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2,6-dibromophenyl)propan-1-ol?
The IUPAC name of (2S)-2-amino-2-(2,6-dibromophenyl)propan-1-ol (CID 131218128) is (2S)-2-amino-2-(2,6-dibromophenyl)propan-1-ol.
What is the SMILES notation for (2S)-2-amino-2-(2,6-dibromophenyl)propan-1-ol?
The canonical SMILES for (2S)-2-amino-2-(2,6-dibromophenyl)propan-1-ol is C[C@@](N)(CO)c1c(Br)cccc1Br.
What is the InChIKey of (2S)-2-amino-2-(2,6-dibromophenyl)propan-1-ol?
The InChIKey is NSDUHKMBDCFHDU-SECBINFHSA-N. The full InChI is InChI=1S/C9H11Br2NO/c1-9(12,5-13)8-6(10)3-2-4-7(8)11/h2-4,13H,5,12H2,1H3/t9-/m1/s1.
What are the key properties of (2S)-2-amino-2-(2,6-dibromophenyl)propan-1-ol?
(2S)-2-amino-2-(2,6-dibromophenyl)propan-1-ol has a molecular weight of 309.00 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(2,6-dibromophenyl)propan-1-ol is sourced from PubChem (CID 131218128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).