1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine

C14H20ClNO2 — CID 113425485

IUPAC1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
SMILESCNC(c1cc(Cl)ccc1OC)C1CCOC1C
InChIInChI=1S/C14H20ClNO2/c1-9-11(6-7-18-9)14(16-2)12-8-10(15)4-5-13(12)17-3/h4-5,8-9,11,14,16H,6-7H2,1-3H3
InChIKeyPKVPONKOFYHNAW-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.03
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine

1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine (PubChem CID 113425485) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
PubChem CID113425485
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
SMILESCNC(c1cc(Cl)ccc1OC)C1CCOC1C
InChIInChI=1S/C14H20ClNO2/c1-9-11(6-7-18-9)14(16-2)12-8-10(15)4-5-13(12)17-3/h4-5,8-9,11,14,16H,6-7H2,1-3H3
InChIKeyPKVPONKOFYHNAW-UHFFFAOYSA-N
XLogP3.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 79760034
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine
CID 115844831
1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 79755096
1-(2-chloro-4,5-difluorophenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 107476133
3-[chloro-(2,5-dimethoxyphenyl)methyl]-2-methyloxolane
CID 79762632
1-(2-chloro-4-fluoro-5-methylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 81045363
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 116951152
N-methyl-1-(2-methyloxolan-3-yl)-1-(2-propan-2-yloxyphenyl)methanamine
CID 105018149
2-[chloro-(5-chloro-2-methoxyphenyl)methyl]-3-methyloxolane
CID 104546411
1-(3,4-dichlorophenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 79760213
(5-chloro-2-methoxyphenyl)-(2-ethyloxolan-3-yl)methanamine
CID 114104288
1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954303

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine (CID 113425485) is 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine is CNC(c1cc(Cl)ccc1OC)C1CCOC1C.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine?
The InChIKey is PKVPONKOFYHNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-9-11(6-7-18-9)14(16-2)12-8-10(15)4-5-13(12)17-3/h4-5,8-9,11,14,16H,6-7H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine?
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine has a molecular weight of 269.77 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine is sourced from PubChem (CID 113425485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).