1-(4-chlorophenyl)-N-methyl-1-(oxan-4-yl)methanamine

C13H18ClNO — CID 62907401

IUPAC1-(4-chlorophenyl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(c1ccc(Cl)cc1)C1CCOCC1
InChIInChI=1S/C13H18ClNO/c1-15-13(11-6-8-16-9-7-11)10-2-4-12(14)5-3-10/h2-5,11,13,15H,6-9H2,1H3
InChIKeyZSLBNRHUYLKZEI-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.03
Rot. Bonds3

About 1-(4-chlorophenyl)-N-methyl-1-(oxan-4-yl)methanamine

1-(4-chlorophenyl)-N-methyl-1-(oxan-4-yl)methanamine (PubChem CID 62907401) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-1-(oxan-4-yl)methanamine
PubChem CID62907401
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name1-(4-chlorophenyl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(c1ccc(Cl)cc1)C1CCOCC1
InChIInChI=1S/C13H18ClNO/c1-15-13(11-6-8-16-9-7-11)10-2-4-12(14)5-3-10/h2-5,11,13,15H,6-9H2,1H3
InChIKeyZSLBNRHUYLKZEI-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-1-(oxan-4-yl)methanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-1-(oxan-4-yl)methanamine (CID 62907401) is 1-(4-chlorophenyl)-N-methyl-1-(oxan-4-yl)methanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-1-(oxan-4-yl)methanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-1-(oxan-4-yl)methanamine is CNC(c1ccc(Cl)cc1)C1CCOCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-1-(oxan-4-yl)methanamine?
The InChIKey is ZSLBNRHUYLKZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-15-13(11-6-8-16-9-7-11)10-2-4-12(14)5-3-10/h2-5,11,13,15H,6-9H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-1-(oxan-4-yl)methanamine?
1-(4-chlorophenyl)-N-methyl-1-(oxan-4-yl)methanamine has a molecular weight of 239.75 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 62907401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).