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

C12H15BrClNO — CID 66161345

IUPACN-[(2-bromo-5-chlorophenyl)methyl]oxan-3-amine
SMILESClc1ccc(Br)c(CNC2CCCOC2)c1
InChIInChI=1S/C12H15BrClNO/c13-12-4-3-10(14)6-9(12)7-15-11-2-1-5-16-8-11/h3-4,6,11,15H,1-2,5,7-8H2
InChIKeyCMDMFRRIWQTTLH-UHFFFAOYSA-N
MW304.61 g/mol
LogP3.37
Rot. Bonds3

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

N-[(2-bromo-5-chlorophenyl)methyl]oxan-3-amine (PubChem CID 66161345) has the molecular formula C12H15BrClNO and a molecular weight of 304.61 g/mol. Its IUPAC name is N-[(2-bromo-5-chlorophenyl)methyl]oxan-3-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-chlorophenyl)methyl]oxan-3-amine
PubChem CID66161345
Molecular FormulaC12H15BrClNO
Molecular Weight304.61 g/mol
Exact Mass303.00
IUPAC NameN-[(2-bromo-5-chlorophenyl)methyl]oxan-3-amine
SMILESClc1ccc(Br)c(CNC2CCCOC2)c1
InChIInChI=1S/C12H15BrClNO/c13-12-4-3-10(14)6-9(12)7-15-11-2-1-5-16-8-11/h3-4,6,11,15H,1-2,5,7-8H2
InChIKeyCMDMFRRIWQTTLH-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.61
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-bromo-5-chlorophenyl)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-[(2-bromo-5-chlorophenyl)methyl]cyclopentanamine
CID 66158673
N-[(2-bromophenyl)methyl]oxan-3-amine
CID 63360139
N-[(5-chloro-2-nitrophenyl)methyl]oxan-3-amine
CID 78998853
(3S)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]oxan-3-amine
CID 98485911
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]oxan-3-amine
CID 55188586
N-[(2-bromo-5-chlorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 66160263
N-[(5-chloro-2-pyridinyl)methyl]oxan-3-amine
CID 115906683
4-bromo-2-[(oxan-3-ylamino)methyl]phenol;hydrochloride
CID 115616396
3-[(2-bromo-5-chlorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 66155503
N-[(2-bromo-5-chlorophenyl)methyl]thiolan-3-amine
CID 103707744
N-[(2-bromo-5-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115660141
N-[(5-bromo-2-methoxyphenyl)methyl]oxan-3-amine
CID 63360472

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]oxan-3-amine?
The IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]oxan-3-amine (CID 66161345) is N-[(2-bromo-5-chlorophenyl)methyl]oxan-3-amine.
What is the SMILES notation for N-[(2-bromo-5-chlorophenyl)methyl]oxan-3-amine?
The canonical SMILES for N-[(2-bromo-5-chlorophenyl)methyl]oxan-3-amine is Clc1ccc(Br)c(CNC2CCCOC2)c1.
What is the InChIKey of N-[(2-bromo-5-chlorophenyl)methyl]oxan-3-amine?
The InChIKey is CMDMFRRIWQTTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO/c13-12-4-3-10(14)6-9(12)7-15-11-2-1-5-16-8-11/h3-4,6,11,15H,1-2,5,7-8H2.
What are the key properties of N-[(2-bromo-5-chlorophenyl)methyl]oxan-3-amine?
N-[(2-bromo-5-chlorophenyl)methyl]oxan-3-amine has a molecular weight of 304.61 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-chlorophenyl)methyl]oxan-3-amine is sourced from PubChem (CID 66161345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).