1-(5-chloro-2-methylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine

C13H18ClNO — CID 115856559

IUPAC1-(5-chloro-2-methylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
SMILESCNC(c1cc(Cl)ccc1C)C1CCOC1
InChIInChI=1S/C13H18ClNO/c1-9-3-4-11(14)7-12(9)13(15-2)10-5-6-16-8-10/h3-4,7,10,13,15H,5-6,8H2,1-2H3
InChIKeyJLUZMZDYHVJOSU-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.95
Rot. Bonds3

About 1-(5-chloro-2-methylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine

1-(5-chloro-2-methylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine (PubChem CID 115856559) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
PubChem CID115856559
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name1-(5-chloro-2-methylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
SMILESCNC(c1cc(Cl)ccc1C)C1CCOC1
InChIInChI=1S/C13H18ClNO/c1-9-3-4-11(14)7-12(9)13(15-2)10-5-6-16-8-10/h3-4,7,10,13,15H,5-6,8H2,1-2H3
InChIKeyJLUZMZDYHVJOSU-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(5-chloro-2-methylphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105306666
1-(3,4-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 61271037
1-(5-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 104990914
1-(5-fluoro-2-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 63935282
1-(2,5-dibromo-4-methylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 81473942
N-[(2,5-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276511
N-methyl-1-(2-methylfuran-3-yl)-1-(oxolan-3-yl)methanamine
CID 104789944
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 103406022
1-(4-fluoro-3,5-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 65298857
3-[chloro-(2,5-dichlorophenyl)methyl]oxolane
CID 61278920
1-(2-fluoro-4,5-dimethoxyphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 62866756
3-[chloro-(2,5-dimethylphenyl)methyl]oxolane
CID 61276891

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine (CID 115856559) is 1-(5-chloro-2-methylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine is CNC(c1cc(Cl)ccc1C)C1CCOC1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine?
The InChIKey is JLUZMZDYHVJOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9-3-4-11(14)7-12(9)13(15-2)10-5-6-16-8-10/h3-4,7,10,13,15H,5-6,8H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine?
1-(5-chloro-2-methylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine has a molecular weight of 239.75 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine is sourced from PubChem (CID 115856559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).