N-[(2-bromophenyl)methyl]oxan-3-amine

C12H16BrNO — CID 63360139

IUPACN-[(2-bromophenyl)methyl]oxan-3-amine
SMILESBrc1ccccc1CNC1CCCOC1
InChIInChI=1S/C12H16BrNO/c13-12-6-2-1-4-10(12)8-14-11-5-3-7-15-9-11/h1-2,4,6,11,14H,3,5,7-9H2
InChIKeyLIKDHMLTNPDATO-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.72
Rot. Bonds3

About N-[(2-bromophenyl)methyl]oxan-3-amine

N-[(2-bromophenyl)methyl]oxan-3-amine (PubChem CID 63360139) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]oxan-3-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]oxan-3-amine
PubChem CID63360139
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC NameN-[(2-bromophenyl)methyl]oxan-3-amine
SMILESBrc1ccccc1CNC1CCCOC1
InChIInChI=1S/C12H16BrNO/c13-12-6-2-1-4-10(12)8-14-11-5-3-7-15-9-11/h1-2,4,6,11,14H,3,5,7-9H2
InChIKeyLIKDHMLTNPDATO-UHFFFAOYSA-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

N-[(2-bromophenyl)methyl]oxetan-3-amine
CID 56604682
N-[(2-bromo-5-chlorophenyl)methyl]oxan-3-amine
CID 66161345
N-[(2-chloro-3-pyridinyl)methyl]oxan-3-amine
CID 115616389
N-[[2-(trifluoromethoxy)phenyl]methyl]oxan-3-amine
CID 63360178
N-(1,3-benzodioxol-4-ylmethyl)oxan-3-amine
CID 63360334
(3S)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]oxan-3-amine
CID 98485911
4-bromo-2-[(oxan-3-ylamino)methyl]phenol;hydrochloride
CID 115616396
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]oxan-3-amine
CID 55188586
(3R)-N-[(2,3-dimethoxyphenyl)methyl]oxan-3-amine
CID 95986911
N-(2-bromophenyl)-2-(oxan-3-ylamino)acetamide
CID 55188962
N-[(5-bromo-2-methoxyphenyl)methyl]oxan-3-amine
CID 63360472
N-[(2,4,5-trimethylphenyl)methyl]oxan-3-amine
CID 55189666

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]oxan-3-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]oxan-3-amine (CID 63360139) is N-[(2-bromophenyl)methyl]oxan-3-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]oxan-3-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]oxan-3-amine is Brc1ccccc1CNC1CCCOC1.
What is the InChIKey of N-[(2-bromophenyl)methyl]oxan-3-amine?
The InChIKey is LIKDHMLTNPDATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c13-12-6-2-1-4-10(12)8-14-11-5-3-7-15-9-11/h1-2,4,6,11,14H,3,5,7-9H2.
What are the key properties of N-[(2-bromophenyl)methyl]oxan-3-amine?
N-[(2-bromophenyl)methyl]oxan-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 N-[(2-bromophenyl)methyl]oxan-3-amine is sourced from PubChem (CID 63360139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).