N-[(5-bromo-2-methoxyphenyl)methyl]oxan-3-amine

C13H18BrNO2 — CID 63360472

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]oxan-3-amine
SMILESCOc1ccc(Br)cc1CNC1CCCOC1
InChIInChI=1S/C13H18BrNO2/c1-16-13-5-4-11(14)7-10(13)8-15-12-3-2-6-17-9-12/h4-5,7,12,15H,2-3,6,8-9H2,1H3
InChIKeyBSBWSKXSBDWGSU-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.73
Rot. Bonds4

About N-[(5-bromo-2-methoxyphenyl)methyl]oxan-3-amine

N-[(5-bromo-2-methoxyphenyl)methyl]oxan-3-amine (PubChem CID 63360472) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]oxan-3-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]oxan-3-amine
PubChem CID63360472
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]oxan-3-amine
SMILESCOc1ccc(Br)cc1CNC1CCCOC1
InChIInChI=1S/C13H18BrNO2/c1-16-13-5-4-11(14)7-10(13)8-15-12-3-2-6-17-9-12/h4-5,7,12,15H,2-3,6,8-9H2,1H3
InChIKeyBSBWSKXSBDWGSU-UHFFFAOYSA-N
XLogP2.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromo-2-methoxyphenyl)methyl]oxan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine
CID 792004
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]oxan-3-amine
CID 55188586
(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-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]oxolan-3-amine
CID 176514402
N-[(3,4-dimethoxyphenyl)methyl]oxan-3-amine
CID 63360173
(3R)-N-[(2,3-dimethoxyphenyl)methyl]oxan-3-amine
CID 95986911
N-[(5-bromo-2-methoxyphenyl)methyl]-1,1-dioxothian-3-amine
CID 63924079
N-[2-(5-bromo-2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine
CID 65333922
N-[(5-bromo-2-methoxyphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120916214
N-[(2,4,5-trimethylphenyl)methyl]oxan-3-amine
CID 55189666
3-[(5-bromo-2-methoxyphenyl)-chloromethyl]oxane
CID 63015273

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]oxan-3-amine?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]oxan-3-amine (CID 63360472) is N-[(5-bromo-2-methoxyphenyl)methyl]oxan-3-amine.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]oxan-3-amine?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]oxan-3-amine is COc1ccc(Br)cc1CNC1CCCOC1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]oxan-3-amine?
The InChIKey is BSBWSKXSBDWGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-16-13-5-4-11(14)7-10(13)8-15-12-3-2-6-17-9-12/h4-5,7,12,15H,2-3,6,8-9H2,1H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]oxan-3-amine?
N-[(5-bromo-2-methoxyphenyl)methyl]oxan-3-amine has a molecular weight of 300.20 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]oxan-3-amine is sourced from PubChem (CID 63360472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).