(1R)-1-(3-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine

C13H18BrNO — CID 81382574

IUPAC(1R)-1-(3-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
SMILESC[C@@H](NCC1(C)COC1)c1cccc(Br)c1
InChIInChI=1S/C13H18BrNO/c1-10(11-4-3-5-12(14)6-11)15-7-13(2)8-16-9-13/h3-6,10,15H,7-9H2,1-2H3/t10-/m1/s1
InChIKeyQGCTUPPNQDYEEB-SNVBAGLBSA-N
MW284.20 g/mol
LogP3.14
Rot. Bonds4

About (1R)-1-(3-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine

(1R)-1-(3-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine (PubChem CID 81382574) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is (1R)-1-(3-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
PubChem CID81382574
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name(1R)-1-(3-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
SMILESC[C@@H](NCC1(C)COC1)c1cccc(Br)c1
InChIInChI=1S/C13H18BrNO/c1-10(11-4-3-5-12(14)6-11)15-7-13(2)8-16-9-13/h3-6,10,15H,7-9H2,1-2H3/t10-/m1/s1
InChIKeyQGCTUPPNQDYEEB-SNVBAGLBSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
CID 81365715
4-[[1-(3-bromophenyl)ethylamino]methyl]oxan-4-ol
CID 79140113
N-[1-(3-bromophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 61166809
N-[1-(3-bromophenyl)ethyl]-2,2,2-trifluoroethanamine
CID 24697682
N-[1-(3-bromophenyl)ethyl]-3-methylbutan-1-amine
CID 43193038
(2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol
CID 93082223
(1R)-1-(3-bromophenyl)-N-[(5-ethylfuran-2-yl)methyl]ethanamine
CID 81372648
1-(6-chloro-3-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
CID 115776741
N-[1-(3-bromophenyl)ethyl]butan-1-amine
CID 43192396
4-[1-(3-bromophenyl)ethylamino]butanenitrile
CID 61021299
1-(3-bromophenyl)-N-[(5-iodofuran-2-yl)methyl]ethanamine
CID 43779045
4-[[[(1R)-1-(3-bromophenyl)ethyl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499581

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(3-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine (CID 81382574) is (1R)-1-(3-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(3-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine is C[C@@H](NCC1(C)COC1)c1cccc(Br)c1.
What is the InChIKey of (1R)-1-(3-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine?
The InChIKey is QGCTUPPNQDYEEB-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-10(11-4-3-5-12(14)6-11)15-7-13(2)8-16-9-13/h3-6,10,15H,7-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-(3-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine?
(1R)-1-(3-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine has a molecular weight of 284.20 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine is sourced from PubChem (CID 81382574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).