3-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine

C12H16BrNO — CID 114535509

IUPAC3-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine
SMILESCC1OCCC1(N)Cc1ccccc1Br
InChIInChI=1S/C12H16BrNO/c1-9-12(14,6-7-15-9)8-10-4-2-3-5-11(10)13/h2-5,9H,6-8,14H2,1H3
InChIKeyUNKWTNBSQHCITP-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.50
Rot. Bonds2

About 3-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine

3-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine (PubChem CID 114535509) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine.

Molecular Properties

Compound Name3-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine
PubChem CID114535509
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name3-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine
SMILESCC1OCCC1(N)Cc1ccccc1Br
InChIInChI=1S/C12H16BrNO/c1-9-12(14,6-7-15-9)8-10-4-2-3-5-11(10)13/h2-5,9H,6-8,14H2,1H3
InChIKeyUNKWTNBSQHCITP-UHFFFAOYSA-N
XLogP2.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine?
The IUPAC name of 3-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine (CID 114535509) is 3-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine.
What is the SMILES notation for 3-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine?
The canonical SMILES for 3-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine is CC1OCCC1(N)Cc1ccccc1Br.
What is the InChIKey of 3-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine?
The InChIKey is UNKWTNBSQHCITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-9-12(14,6-7-15-9)8-10-4-2-3-5-11(10)13/h2-5,9H,6-8,14H2,1H3.
What are the key properties of 3-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine?
3-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine has a molecular weight of 270.17 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine is sourced from PubChem (CID 114535509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).