3-[(2-chlorophenyl)methyl]-N-methyloxan-4-amine

C13H18ClNO — CID 71648111

IUPAC3-[(2-chlorophenyl)methyl]-N-methyloxan-4-amine
SMILESCNC1CCOCC1Cc1ccccc1Cl
InChIInChI=1S/C13H18ClNO/c1-15-13-6-7-16-9-11(13)8-10-4-2-3-5-12(10)14/h2-5,11,13,15H,6-9H2,1H3
InChIKeyXJPSHCQXHHCRDH-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.51
Rot. Bonds3

About 3-[(2-chlorophenyl)methyl]-N-methyloxan-4-amine

3-[(2-chlorophenyl)methyl]-N-methyloxan-4-amine (PubChem CID 71648111) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-N-methyloxan-4-amine.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-N-methyloxan-4-amine
PubChem CID71648111
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name3-[(2-chlorophenyl)methyl]-N-methyloxan-4-amine
SMILESCNC1CCOCC1Cc1ccccc1Cl
InChIInChI=1S/C13H18ClNO/c1-15-13-6-7-16-9-11(13)8-10-4-2-3-5-12(10)14/h2-5,11,13,15H,6-9H2,1H3
InChIKeyXJPSHCQXHHCRDH-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-chlorophenyl)methyl]-N-cyclopropyloxan-4-amine
CID 71646485
(3R,4S)-3-[(2,5-dichlorophenyl)methyl]-N-methyloxan-4-amine
CID 97167854
3-[(2,5-dichlorophenyl)methyl]-N-methyloxan-4-amine
CID 71648098
(3R,4S)-3-[(2-fluorophenyl)methyl]-N-methyloxan-4-amine
CID 97167910
(3S,4R)-3-[(2-fluorophenyl)methyl]-N-methyloxan-4-amine
CID 97167911
(3R,4R)-3-[(2-fluorophenyl)methyl]-N-methyloxan-4-amine
CID 97167909
3-[(2-methoxyphenyl)methyl]-N-methyloxan-4-amine
CID 106469193
(3S,4S)-3-[(2-chlorophenyl)methyl]oxane-4-thiol
CID 97169917
(3R,4R)-3-[(3-chlorophenyl)methyl]-N-methyloxan-4-amine
CID 97167889
3-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyloxan-4-amine
CID 106469229
3-[(2-chlorophenyl)methyl]oxane-4-sulfonamide
CID 71649235
(3R,4R)-3-[(4-fluorophenyl)methyl]-N-methyloxan-4-amine
CID 97167881

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-N-methyloxan-4-amine?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-N-methyloxan-4-amine (CID 71648111) is 3-[(2-chlorophenyl)methyl]-N-methyloxan-4-amine.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-N-methyloxan-4-amine?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-N-methyloxan-4-amine is CNC1CCOCC1Cc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-N-methyloxan-4-amine?
The InChIKey is XJPSHCQXHHCRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-15-13-6-7-16-9-11(13)8-10-4-2-3-5-12(10)14/h2-5,11,13,15H,6-9H2,1H3.
What are the key properties of 3-[(2-chlorophenyl)methyl]-N-methyloxan-4-amine?
3-[(2-chlorophenyl)methyl]-N-methyloxan-4-amine has a molecular weight of 239.75 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-N-methyloxan-4-amine is sourced from PubChem (CID 71648111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).