N-[(2,3-dichlorophenyl)methyl]oxan-4-amine

C12H15Cl2NO — CID 43609707

IUPACN-[(2,3-dichlorophenyl)methyl]oxan-4-amine
SMILESClc1cccc(CNC2CCOCC2)c1Cl
InChIInChI=1S/C12H15Cl2NO/c13-11-3-1-2-9(12(11)14)8-15-10-4-6-16-7-5-10/h1-3,10,15H,4-8H2
InChIKeyHVGIQDOBVQMXDC-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.26
Rot. Bonds3

About N-[(2,3-dichlorophenyl)methyl]oxan-4-amine

N-[(2,3-dichlorophenyl)methyl]oxan-4-amine (PubChem CID 43609707) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]oxan-4-amine
PubChem CID43609707
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC NameN-[(2,3-dichlorophenyl)methyl]oxan-4-amine
SMILESClc1cccc(CNC2CCOCC2)c1Cl
InChIInChI=1S/C12H15Cl2NO/c13-11-3-1-2-9(12(11)14)8-15-10-4-6-16-7-5-10/h1-3,10,15H,4-8H2
InChIKeyHVGIQDOBVQMXDC-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride
CID 46835187
2-chloro-6-[(oxolan-3-ylamino)methyl]phenol
CID 112554992
N-[(2,3-dichlorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671641
N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 60920110
1-[4-[(2,3-dichlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43224238
N-[(2,3-dichlorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317453
N-[(2,3-dichlorophenyl)methyl]-1-methylpyrrolidin-3-amine
CID 61462296
1-(2,3-dichlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 111466535
N-[(5-bromo-2-chlorophenyl)methyl]oxan-4-amine
CID 115732123
N,N-dimethyl-3-[(oxan-4-ylamino)methyl]pyridin-2-amine
CID 29153314
N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 107305713
2-(2,3-dichlorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine
CID 107308697

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]oxan-4-amine?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]oxan-4-amine (CID 43609707) is N-[(2,3-dichlorophenyl)methyl]oxan-4-amine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]oxan-4-amine?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]oxan-4-amine is Clc1cccc(CNC2CCOCC2)c1Cl.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]oxan-4-amine?
The InChIKey is HVGIQDOBVQMXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c13-11-3-1-2-9(12(11)14)8-15-10-4-6-16-7-5-10/h1-3,10,15H,4-8H2.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]oxan-4-amine?
N-[(2,3-dichlorophenyl)methyl]oxan-4-amine has a molecular weight of 260.16 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]oxan-4-amine is sourced from PubChem (CID 43609707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).