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

C13H17Cl2NO — CID 103897522

IUPACN-[(2,3-dichlorophenyl)methyl]-3-methyloxan-3-amine
SMILESCC1(NCc2cccc(Cl)c2Cl)CCCOC1
InChIInChI=1S/C13H17Cl2NO/c1-13(6-3-7-17-9-13)16-8-10-4-2-5-11(14)12(10)15/h2,4-5,16H,3,6-9H2,1H3
InChIKeyDXNJHMLSNIFHFL-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.65
Rot. Bonds3

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

N-[(2,3-dichlorophenyl)methyl]-3-methyloxan-3-amine (PubChem CID 103897522) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-3-methyloxan-3-amine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-3-methyloxan-3-amine
PubChem CID103897522
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-3-methyloxan-3-amine
SMILESCC1(NCc2cccc(Cl)c2Cl)CCCOC1
InChIInChI=1S/C13H17Cl2NO/c1-13(6-3-7-17-9-13)16-8-10-4-2-5-11(14)12(10)15/h2,4-5,16H,3,6-9H2,1H3
InChIKeyDXNJHMLSNIFHFL-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-3-methyloxolan-3-amine
CID 115768729
N-[(3-chloro-2-fluorophenyl)methyl]-3-methyloxolan-3-amine
CID 115768576
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-methyloxan-3-amine
CID 103897407
N-[(2-amino-3-fluorophenyl)methyl]-3-methyloxan-3-amine
CID 114113972
N-[2-[[(3-methyloxan-3-yl)amino]methyl]phenyl]acetamide
CID 103897392
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methyloxan-3-amine
CID 103897511
N-[(3-chloro-4-methylphenyl)methyl]-3-methyloxan-3-amine
CID 106833865
N-[(2,3-dichlorophenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107423899
2-[[(3-methyloxolan-3-yl)amino]methyl]phenol
CID 115768602
N-[(2,4-difluorophenyl)methyl]-3-methyloxan-3-amine
CID 113347998
N-[(2,3-dimethoxyphenyl)methyl]-3-methyloxolan-3-amine
CID 115768698
N-[(6-methoxy-2-pyridinyl)methyl]-3-methyloxan-3-amine
CID 103527612

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-3-methyloxan-3-amine?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-3-methyloxan-3-amine (CID 103897522) is N-[(2,3-dichlorophenyl)methyl]-3-methyloxan-3-amine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-3-methyloxan-3-amine?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-3-methyloxan-3-amine is CC1(NCc2cccc(Cl)c2Cl)CCCOC1.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-3-methyloxan-3-amine?
The InChIKey is DXNJHMLSNIFHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-13(6-3-7-17-9-13)16-8-10-4-2-5-11(14)12(10)15/h2,4-5,16H,3,6-9H2,1H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-3-methyloxan-3-amine?
N-[(2,3-dichlorophenyl)methyl]-3-methyloxan-3-amine has a molecular weight of 274.19 g/mol, XLogP of 3.65, 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]-3-methyloxan-3-amine is sourced from PubChem (CID 103897522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).