1-(2-chlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine

C15H22ClNO — CID 115800984

IUPAC1-(2-chlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCNC(c1ccccc1Cl)C1C(C)OC(C)C1C
InChIInChI=1S/C15H22ClNO/c1-9-10(2)18-11(3)14(9)15(17-4)12-7-5-6-8-13(12)16/h5-11,14-15,17H,1-4H3
InChIKeyRYEOCEKGZHLTOU-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.66
Rot. Bonds3

About 1-(2-chlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine

1-(2-chlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine (PubChem CID 115800984) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
PubChem CID115800984
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name1-(2-chlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCNC(c1ccccc1Cl)C1C(C)OC(C)C1C
InChIInChI=1S/C15H22ClNO/c1-9-10(2)18-11(3)14(9)15(17-4)12-7-5-6-8-13(12)16/h5-11,14-15,17H,1-4H3
InChIKeyRYEOCEKGZHLTOU-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65154515
1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 106764578
N-methyl-1-naphthalen-2-yl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 115850959
1-(2-chlorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 115801211
[(5-chloro-2-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]hydrazine
CID 105300931
N-methyl-1-quinolin-3-yl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 115797688
1-(3-methoxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 115785256
2-(2-chlorophenyl)-N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 65155941
2-(2,5-dichlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 115862951
(1S)-1-(2-chlorophenyl)-N-methylethanamine
CID 30073865
1-(2-chlorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 112681183
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-(2,4,5-trimethyloxolan-3-yl)methanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine (CID 115800984) is 1-(2-chlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine is CNC(c1ccccc1Cl)C1C(C)OC(C)C1C.
What is the InChIKey of 1-(2-chlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The InChIKey is RYEOCEKGZHLTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-9-10(2)18-11(3)14(9)15(17-4)12-7-5-6-8-13(12)16/h5-11,14-15,17H,1-4H3.
What are the key properties of 1-(2-chlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
1-(2-chlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine has a molecular weight of 267.80 g/mol, XLogP of 3.66, 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-(2,4,5-trimethyloxolan-3-yl)methanamine is sourced from PubChem (CID 115800984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).