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

C12H15Cl2NO — CID 115768729

IUPACN-[(2,3-dichlorophenyl)methyl]-3-methyloxolan-3-amine
SMILESCC1(NCc2cccc(Cl)c2Cl)CCOC1
InChIInChI=1S/C12H15Cl2NO/c1-12(5-6-16-8-12)15-7-9-3-2-4-10(13)11(9)14/h2-4,15H,5-8H2,1H3
InChIKeyOFYODRZQGKCJII-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.26
Rot. Bonds3

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

N-[(2,3-dichlorophenyl)methyl]-3-methyloxolan-3-amine (PubChem CID 115768729) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-3-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-3-methyloxolan-3-amine
PubChem CID115768729
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-3-methyloxolan-3-amine
SMILESCC1(NCc2cccc(Cl)c2Cl)CCOC1
InChIInChI=1S/C12H15Cl2NO/c1-12(5-6-16-8-12)15-7-9-3-2-4-10(13)11(9)14/h2-4,15H,5-8H2,1H3
InChIKeyOFYODRZQGKCJII-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]-3-methyloxan-3-amine
CID 103897522
N-[(3-chloro-2-fluorophenyl)methyl]-3-methyloxolan-3-amine
CID 115768576
2-[[(3-methyloxolan-3-yl)amino]methyl]phenol
CID 115768602
N-[(2,3-dichlorophenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107423899
N-[(2,3-dimethoxyphenyl)methyl]-3-methyloxolan-3-amine
CID 115768698
N-[(5-chlorofuran-2-yl)methyl]-3-methyloxolan-3-amine
CID 115768841
N-[(2,5-dimethylphenyl)methyl]-3-methyloxolan-3-amine
CID 115768702
N-[2-[[(3-methyloxan-3-yl)amino]methyl]phenyl]acetamide
CID 103897392
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-bromothiophen-3-yl)methyl]-3-methyloxolan-3-amine
CID 131025793
N-(1-benzothiophen-3-ylmethyl)-3-methyloxolan-3-amine
CID 115768581

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-3-methyloxolan-3-amine?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-3-methyloxolan-3-amine (CID 115768729) is N-[(2,3-dichlorophenyl)methyl]-3-methyloxolan-3-amine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-3-methyloxolan-3-amine?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-3-methyloxolan-3-amine is CC1(NCc2cccc(Cl)c2Cl)CCOC1.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-3-methyloxolan-3-amine?
The InChIKey is OFYODRZQGKCJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-12(5-6-16-8-12)15-7-9-3-2-4-10(13)11(9)14/h2-4,15H,5-8H2,1H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-3-methyloxolan-3-amine?
N-[(2,3-dichlorophenyl)methyl]-3-methyloxolan-3-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]-3-methyloxolan-3-amine is sourced from PubChem (CID 115768729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).