(2R)-1-(2-bromophenoxy)-3-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol

C15H24BrNO4 — CID 98734889

IUPAC(2R)-1-(2-bromophenoxy)-3-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol
SMILESC[C@H](O)CN(C[C@@H](O)COc1ccccc1Br)C[C@@H](C)O
InChIInChI=1S/C15H24BrNO4/c1-11(18)7-17(8-12(2)19)9-13(20)10-21-15-6-4-3-5-14(15)16/h3-6,11-13,18-20H,7-10H2,1-2H3/t11-,12+,13-/m1/s1
InChIKeyUACNSABIGZXIHA-FRRDWIJNSA-N
MW362.26 g/mol
LogP1.25
Rot. Bonds9

About (2R)-1-(2-bromophenoxy)-3-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol

(2R)-1-(2-bromophenoxy)-3-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol (PubChem CID 98734889) has the molecular formula C15H24BrNO4 and a molecular weight of 362.26 g/mol. Its IUPAC name is (2R)-1-(2-bromophenoxy)-3-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-bromophenoxy)-3-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol
PubChem CID98734889
Molecular FormulaC15H24BrNO4
Molecular Weight362.26 g/mol
Exact Mass361.09
IUPAC Name(2R)-1-(2-bromophenoxy)-3-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol
SMILESC[C@H](O)CN(C[C@@H](O)COc1ccccc1Br)C[C@@H](C)O
InChIInChI=1S/C15H24BrNO4/c1-11(18)7-17(8-12(2)19)9-13(20)10-21-15-6-4-3-5-14(15)16/h3-6,11-13,18-20H,7-10H2,1-2H3/t11-,12+,13-/m1/s1
InChIKeyUACNSABIGZXIHA-FRRDWIJNSA-N
XLogP1.25
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-1-(2-bromophenoxy)-3-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol with MolForge

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Related Compounds

(2S)-1-(2-bromophenoxy)propan-2-ol
CID 106933011
1-[bis(2-methylpropyl)amino]-3-(2-chlorophenoxy)propan-2-ol
CID 2914248
1-[bis(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 2915985
1-(2-bromophenoxy)-3-(dicyclohexylamino)propan-2-ol
CID 2916524
1-(2-bromophenoxy)-4-methoxybutan-2-ol
CID 117236731
(2R)-1-(2-chlorophenoxy)-3-(diethylamino)propan-2-ol
CID 7185787
1-(2-bromophenoxy)-3-(butan-2-ylamino)propan-2-ol
CID 4728858
(2S)-1-(2-chlorophenoxy)-3-(dimethylamino)propan-2-ol
CID 40540867
1-bromo-2-(2-chloropropoxy)benzene
CID 22752746
1-(2,4-dibromophenoxy)-3-(dimethylamino)propan-2-ol
CID 16877055
(2S)-1-(2,4-dibromophenoxy)-3-(dimethylamino)propan-2-ol
CID 42588460
1-bromo-2-[(2S)-3-chloro-2-methylpropoxy]benzene
CID 86611005

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-bromophenoxy)-3-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol?
The IUPAC name of (2R)-1-(2-bromophenoxy)-3-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol (CID 98734889) is (2R)-1-(2-bromophenoxy)-3-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-(2-bromophenoxy)-3-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-(2-bromophenoxy)-3-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol is C[C@H](O)CN(C[C@@H](O)COc1ccccc1Br)C[C@@H](C)O.
What is the InChIKey of (2R)-1-(2-bromophenoxy)-3-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol?
The InChIKey is UACNSABIGZXIHA-FRRDWIJNSA-N. The full InChI is InChI=1S/C15H24BrNO4/c1-11(18)7-17(8-12(2)19)9-13(20)10-21-15-6-4-3-5-14(15)16/h3-6,11-13,18-20H,7-10H2,1-2H3/t11-,12+,13-/m1/s1.
What are the key properties of (2R)-1-(2-bromophenoxy)-3-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol?
(2R)-1-(2-bromophenoxy)-3-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol has a molecular weight of 362.26 g/mol, XLogP of 1.25, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-bromophenoxy)-3-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol is sourced from PubChem (CID 98734889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).