(2S,3R)-N-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine

C12H16BrNO — CID 97358207

IUPAC(2S,3R)-N-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine
SMILESC[C@@H]1OCC[C@H]1NCc1ccccc1Br
InChIInChI=1S/C12H16BrNO/c1-9-12(6-7-15-9)14-8-10-4-2-3-5-11(10)13/h2-5,9,12,14H,6-8H2,1H3/t9-,12+/m0/s1
InChIKeyORHMPWXGURVQFN-JOYOIKCWSA-N
MW270.17 g/mol
LogP2.72
Rot. Bonds3

About (2S,3R)-N-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine

(2S,3R)-N-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine (PubChem CID 97358207) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is (2S,3R)-N-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine.

Molecular Properties

Compound Name(2S,3R)-N-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine
PubChem CID97358207
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name(2S,3R)-N-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine
SMILESC[C@@H]1OCC[C@H]1NCc1ccccc1Br
InChIInChI=1S/C12H16BrNO/c1-9-12(6-7-15-9)14-8-10-4-2-3-5-11(10)13/h2-5,9,12,14H,6-8H2,1H3/t9-,12+/m0/s1
InChIKeyORHMPWXGURVQFN-JOYOIKCWSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-N-[(3-bromo-2-methoxyphenyl)methyl]-2-methyloxolan-3-amine
CID 97102484
N-[(2-chlorophenyl)methyl]-2-methyloxolan-3-amine
CID 75525158
4-bromo-3-[[(2-methyloxolan-3-yl)amino]methyl]phenol
CID 115868288
N-[(2-bromophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64909294
2-methyl-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine
CID 115868289
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-methyloxolan-3-amine
CID 82725545
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyloxolan-3-amine
CID 82725575
N-(1H-indol-4-ylmethyl)-2-methyloxolan-3-amine
CID 82725136
2-methyl-N-(quinolin-8-ylmethyl)oxolan-3-amine
CID 115337151
(2R,3R)-N-[(4-chlorophenyl)methyl]-2-methyloxolan-3-amine
CID 97358120
2-methyl-N-[(2,4,5-trimethylphenyl)methyl]oxolan-3-amine
CID 82726551
N-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine
CID 43433174

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine?
The IUPAC name of (2S,3R)-N-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine (CID 97358207) is (2S,3R)-N-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine.
What is the SMILES notation for (2S,3R)-N-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine?
The canonical SMILES for (2S,3R)-N-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine is C[C@@H]1OCC[C@H]1NCc1ccccc1Br.
What is the InChIKey of (2S,3R)-N-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine?
The InChIKey is ORHMPWXGURVQFN-JOYOIKCWSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-9-12(6-7-15-9)14-8-10-4-2-3-5-11(10)13/h2-5,9,12,14H,6-8H2,1H3/t9-,12+/m0/s1.
What are the key properties of (2S,3R)-N-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine?
(2S,3R)-N-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine has a molecular weight of 270.17 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine is sourced from PubChem (CID 97358207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).