(2R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-[(3R)-oxolan-3-yl]oxypropan-2-amine

C14H19BrFNO2 — CID 97102257

IUPAC(2R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-[(3R)-oxolan-3-yl]oxypropan-2-amine
SMILESC[C@H](CO[C@@H]1CCOC1)NCc1cc(F)ccc1Br
InChIInChI=1S/C14H19BrFNO2/c1-10(8-19-13-4-5-18-9-13)17-7-11-6-12(16)2-3-14(11)15/h2-3,6,10,13,17H,4-5,7-9H2,1H3/t10-,13-/m1/s1
InChIKeyCLCQBNNTBDWBME-ZWNOBZJWSA-N
MW332.21 g/mol
LogP2.87
Rot. Bonds6

About (2R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-[(3R)-oxolan-3-yl]oxypropan-2-amine

(2R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-[(3R)-oxolan-3-yl]oxypropan-2-amine (PubChem CID 97102257) has the molecular formula C14H19BrFNO2 and a molecular weight of 332.21 g/mol. Its IUPAC name is (2R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-[(3R)-oxolan-3-yl]oxypropan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-[(3R)-oxolan-3-yl]oxypropan-2-amine
PubChem CID97102257
Molecular FormulaC14H19BrFNO2
Molecular Weight332.21 g/mol
Exact Mass331.06
IUPAC Name(2R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-[(3R)-oxolan-3-yl]oxypropan-2-amine
SMILESC[C@H](CO[C@@H]1CCOC1)NCc1cc(F)ccc1Br
InChIInChI=1S/C14H19BrFNO2/c1-10(8-19-13-4-5-18-9-13)17-7-11-6-12(16)2-3-14(11)15/h2-3,6,10,13,17H,4-5,7-9H2,1H3/t10-,13-/m1/s1
InChIKeyCLCQBNNTBDWBME-ZWNOBZJWSA-N
XLogP2.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-(oxolan-3-yloxy)propan-2-amine
CID 75433072
N-[(2-bromo-5-fluorophenyl)methyl]-5-methylhexan-2-amine
CID 63452803
3-[(2-bromo-5-fluorophenyl)methylamino]butanenitrile
CID 61016435
1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-bromo-5-fluorophenyl)methyl]ethanamine
CID 43100719
4-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]-2-(trifluoromethyl)benzamide
CID 124574185
2-(2-bromo-5-fluorophenyl)-1-(oxolan-3-yl)ethanamine
CID 65330516
N-methyl-1-(oxolan-3-yloxy)propan-2-amine
CID 63556835
(3S)-3-(2-bromo-5-fluorophenoxy)oxolane
CID 118590561
N-[[2-bromo-5-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107134487
N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 28566155
5-bromo-N-[1-(oxolan-3-yloxy)propan-2-yl]pyridin-3-amine
CID 133348324
1-(4-fluorophenyl)-2-(oxolan-3-yloxy)ethanamine
CID 107523657

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-[(3R)-oxolan-3-yl]oxypropan-2-amine?
The IUPAC name of (2R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-[(3R)-oxolan-3-yl]oxypropan-2-amine (CID 97102257) is (2R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-[(3R)-oxolan-3-yl]oxypropan-2-amine.
What is the SMILES notation for (2R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-[(3R)-oxolan-3-yl]oxypropan-2-amine?
The canonical SMILES for (2R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-[(3R)-oxolan-3-yl]oxypropan-2-amine is C[C@H](CO[C@@H]1CCOC1)NCc1cc(F)ccc1Br.
What is the InChIKey of (2R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-[(3R)-oxolan-3-yl]oxypropan-2-amine?
The InChIKey is CLCQBNNTBDWBME-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H19BrFNO2/c1-10(8-19-13-4-5-18-9-13)17-7-11-6-12(16)2-3-14(11)15/h2-3,6,10,13,17H,4-5,7-9H2,1H3/t10-,13-/m1/s1.
What are the key properties of (2R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-[(3R)-oxolan-3-yl]oxypropan-2-amine?
(2R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-[(3R)-oxolan-3-yl]oxypropan-2-amine has a molecular weight of 332.21 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-[(3R)-oxolan-3-yl]oxypropan-2-amine is sourced from PubChem (CID 97102257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).