N-[[2-(3,5-dichlorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine

C16H23Cl2NO — CID 79365299

IUPACN-[[2-(3,5-dichlorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCCOC1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H23Cl2NO/c1-16(2,3)19-10-11-5-4-6-20-15(11)12-7-13(17)9-14(18)8-12/h7-9,11,15,19H,4-6,10H2,1-3H3
InChIKeyMGPXWMYIFJPJGI-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.85
Rot. Bonds3

About N-[[2-(3,5-dichlorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine

N-[[2-(3,5-dichlorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 79365299) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is N-[[2-(3,5-dichlorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(3,5-dichlorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID79365299
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC NameN-[[2-(3,5-dichlorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCCOC1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H23Cl2NO/c1-16(2,3)19-10-11-5-4-6-20-15(11)12-7-13(17)9-14(18)8-12/h7-9,11,15,19H,4-6,10H2,1-3H3
InChIKeyMGPXWMYIFJPJGI-UHFFFAOYSA-N
XLogP4.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-dichlorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(3,5-dichlorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine (CID 79365299) is N-[[2-(3,5-dichlorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(3,5-dichlorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(3,5-dichlorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CCCOC1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[[2-(3,5-dichlorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is MGPXWMYIFJPJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-16(2,3)19-10-11-5-4-6-20-15(11)12-7-13(17)9-14(18)8-12/h7-9,11,15,19H,4-6,10H2,1-3H3.
What are the key properties of N-[[2-(3,5-dichlorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(3,5-dichlorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 316.27 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-dichlorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79365299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).