1-(2-chlorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine

C13H18ClNO — CID 115801211

IUPAC1-(2-chlorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
SMILESCNC(c1ccccc1Cl)C1OCCC1C
InChIInChI=1S/C13H18ClNO/c1-9-7-8-16-13(9)12(15-2)10-5-3-4-6-11(10)14/h3-6,9,12-13,15H,7-8H2,1-2H3
InChIKeyIBEYNADGQRUHGD-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.03
Rot. Bonds3

About 1-(2-chlorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine

1-(2-chlorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine (PubChem CID 115801211) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
PubChem CID115801211
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name1-(2-chlorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
SMILESCNC(c1ccccc1Cl)C1OCCC1C
InChIInChI=1S/C13H18ClNO/c1-9-7-8-16-13(9)12(15-2)10-5-3-4-6-11(10)14/h3-6,9,12-13,15H,7-8H2,1-2H3
InChIKeyIBEYNADGQRUHGD-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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Related Compounds

(2-chlorophenyl)-(3-methyloxolan-2-yl)methanamine
CID 115801779
1-(2-chloro-6-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 114275397
N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propan-2-yloxyphenyl)methanamine
CID 105018242
N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propoxyphenyl)methanamine
CID 105035833
N-methyl-1-(3-methyloxolan-2-yl)-1-(2-methylthiophen-3-yl)methanamine
CID 102840428
(2,3-dichlorophenyl)-(3-methyloxolan-2-yl)methanol
CID 115793140
1-(2-chlorophenyl)-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79908703
1-(2-chlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 115800984
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 105032819
1-(3-bromofuran-2-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 115861419
[(3-methyloxolan-2-yl)-(2-propan-2-yloxyphenyl)methyl]hydrazine
CID 105326187
1-(2-chlorophenyl)-N-methyl-1-(thiolan-2-yl)methanamine
CID 80621667

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine (CID 115801211) is 1-(2-chlorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine is CNC(c1ccccc1Cl)C1OCCC1C.
What is the InChIKey of 1-(2-chlorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine?
The InChIKey is IBEYNADGQRUHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9-7-8-16-13(9)12(15-2)10-5-3-4-6-11(10)14/h3-6,9,12-13,15H,7-8H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine?
1-(2-chlorophenyl)-N-methyl-1-(3-methyloxolan-2-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-(2-chlorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 115801211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).