4-(3-bromophenyl)-N-methyloxan-4-amine

C12H16BrNO — CID 83693917

IUPAC4-(3-bromophenyl)-N-methyloxan-4-amine
SMILESCNC1(c2cccc(Br)c2)CCOCC1
InChIInChI=1S/C12H16BrNO/c1-14-12(5-7-15-8-6-12)10-3-2-4-11(13)9-10/h2-4,9,14H,5-8H2,1H3
InChIKeyCZOGJUBUCNRUJS-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.67
Rot. Bonds2

About 4-(3-bromophenyl)-N-methyloxan-4-amine

4-(3-bromophenyl)-N-methyloxan-4-amine (PubChem CID 83693917) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 4-(3-bromophenyl)-N-methyloxan-4-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-N-methyloxan-4-amine
PubChem CID83693917
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name4-(3-bromophenyl)-N-methyloxan-4-amine
SMILESCNC1(c2cccc(Br)c2)CCOCC1
InChIInChI=1S/C12H16BrNO/c1-14-12(5-7-15-8-6-12)10-3-2-4-11(13)9-10/h2-4,9,14H,5-8H2,1H3
InChIKeyCZOGJUBUCNRUJS-UHFFFAOYSA-N
XLogP2.67
TPSA21.26 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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N-methylcyclopropan-1-amine;hydrochloride
CID 175203393
4-(3-bromophenyl)-N-(3-methoxy-2-methylpropyl)oxan-4-amine
CID 86804392
2-[2-[[4-(3-bromophenyl)oxan-4-yl]amino]ethoxy]ethanol
CID 111332754
4-(3-bromophenyl)-N-(2-pyrazol-1-ylethyl)oxan-4-amine
CID 86776912
methyl N-[2-[[4-(3-bromophenyl)oxan-4-yl]amino]-2-oxoethyl]-N-methylcarbamate
CID 71886185
4-(2-bromophenyl)-N-methyloxan-4-amine
CID 83693916
trans-(1R,2R)-N-[4-(3-bromophenyl)oxan-4-yl]-2-cyclopropylcyclopropane-1-carboxamide
CID 97010988
N-[4-(3-bromophenyl)oxan-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 47072703
N-[4-(3-bromophenyl)oxan-4-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 138997374
N-[4-(3-bromophenyl)oxan-4-yl]-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide
CID 71883536
1-(3-bromophenyl)cyclopropan-1-amine
CID 11127564
2-[[4-(3-bromophenyl)oxan-4-yl]amino]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 60572748

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-N-methyloxan-4-amine?
The IUPAC name of 4-(3-bromophenyl)-N-methyloxan-4-amine (CID 83693917) is 4-(3-bromophenyl)-N-methyloxan-4-amine.
What is the SMILES notation for 4-(3-bromophenyl)-N-methyloxan-4-amine?
The canonical SMILES for 4-(3-bromophenyl)-N-methyloxan-4-amine is CNC1(c2cccc(Br)c2)CCOCC1.
What is the InChIKey of 4-(3-bromophenyl)-N-methyloxan-4-amine?
The InChIKey is CZOGJUBUCNRUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-14-12(5-7-15-8-6-12)10-3-2-4-11(13)9-10/h2-4,9,14H,5-8H2,1H3.
What are the key properties of 4-(3-bromophenyl)-N-methyloxan-4-amine?
4-(3-bromophenyl)-N-methyloxan-4-amine has a molecular weight of 270.17 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-N-methyloxan-4-amine is sourced from PubChem (CID 83693917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).