(2R)-2-[[(S)-(4-bromophenyl)-[(2S)-oxolan-2-yl]methyl]amino]propan-1-ol

C14H20BrNO2 — CID 99852159

IUPAC(2R)-2-[[(S)-(4-bromophenyl)-[(2S)-oxolan-2-yl]methyl]amino]propan-1-ol
SMILESC[C@H](CO)N[C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1
InChIInChI=1S/C14H20BrNO2/c1-10(9-17)16-14(13-3-2-8-18-13)11-4-6-12(15)7-5-11/h4-7,10,13-14,16-17H,2-3,8-9H2,1H3/t10-,13+,14+/m1/s1
InChIKeyIBDFXKBOVGHMDY-SWHYSGLUSA-N
MW314.22 g/mol
LogP2.64
Rot. Bonds5

About (2R)-2-[[(S)-(4-bromophenyl)-[(2S)-oxolan-2-yl]methyl]amino]propan-1-ol

(2R)-2-[[(S)-(4-bromophenyl)-[(2S)-oxolan-2-yl]methyl]amino]propan-1-ol (PubChem CID 99852159) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is (2R)-2-[[(S)-(4-bromophenyl)-[(2S)-oxolan-2-yl]methyl]amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[(S)-(4-bromophenyl)-[(2S)-oxolan-2-yl]methyl]amino]propan-1-ol
PubChem CID99852159
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name(2R)-2-[[(S)-(4-bromophenyl)-[(2S)-oxolan-2-yl]methyl]amino]propan-1-ol
SMILESC[C@H](CO)N[C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1
InChIInChI=1S/C14H20BrNO2/c1-10(9-17)16-14(13-3-2-8-18-13)11-4-6-12(15)7-5-11/h4-7,10,13-14,16-17H,2-3,8-9H2,1H3/t10-,13+,14+/m1/s1
InChIKeyIBDFXKBOVGHMDY-SWHYSGLUSA-N
XLogP2.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[(S)-(4-bromophenyl)-[(2S)-oxolan-2-yl]methyl]amino]propan-1-ol with MolForge

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Related Compounds

N-[(4-bromophenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 43494552
2-[(4-bromophenyl)-chloromethyl]oxolane
CID 61081536
(2R)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propan-1-ol
CID 114987207
2-(4-bromophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 40636423
2-(4-bromophenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine
CID 61064439
1-(4-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 43481680
2-[(4-bromophenyl)-(oxolan-2-yl)methyl]propanedinitrile
CID 155934160
1-[1-(3-bromophenyl)ethyl]-3-[(4-fluorophenyl)-(oxolan-2-yl)methyl]urea
CID 60547734
2-[bromo-(4-propan-2-ylphenyl)methyl]oxolane
CID 61098410
ethyl 2-(4-bromoanilino)-2-(oxolan-2-yl)acetate
CID 82838120
N-[(4-cyclobutylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 116506194
2-(methylamino)-N-[oxolan-2-yl(phenyl)methyl]acetamide
CID 119757394

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(S)-(4-bromophenyl)-[(2S)-oxolan-2-yl]methyl]amino]propan-1-ol?
The IUPAC name of (2R)-2-[[(S)-(4-bromophenyl)-[(2S)-oxolan-2-yl]methyl]amino]propan-1-ol (CID 99852159) is (2R)-2-[[(S)-(4-bromophenyl)-[(2S)-oxolan-2-yl]methyl]amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[[(S)-(4-bromophenyl)-[(2S)-oxolan-2-yl]methyl]amino]propan-1-ol?
The canonical SMILES for (2R)-2-[[(S)-(4-bromophenyl)-[(2S)-oxolan-2-yl]methyl]amino]propan-1-ol is C[C@H](CO)N[C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1.
What is the InChIKey of (2R)-2-[[(S)-(4-bromophenyl)-[(2S)-oxolan-2-yl]methyl]amino]propan-1-ol?
The InChIKey is IBDFXKBOVGHMDY-SWHYSGLUSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-10(9-17)16-14(13-3-2-8-18-13)11-4-6-12(15)7-5-11/h4-7,10,13-14,16-17H,2-3,8-9H2,1H3/t10-,13+,14+/m1/s1.
What are the key properties of (2R)-2-[[(S)-(4-bromophenyl)-[(2S)-oxolan-2-yl]methyl]amino]propan-1-ol?
(2R)-2-[[(S)-(4-bromophenyl)-[(2S)-oxolan-2-yl]methyl]amino]propan-1-ol has a molecular weight of 314.22 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(S)-(4-bromophenyl)-[(2S)-oxolan-2-yl]methyl]amino]propan-1-ol is sourced from PubChem (CID 99852159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).