(4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanamine

C13H18ClNO2 — CID 105006851

IUPAC(4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanamine
SMILESCOc1cc(C(N)C2CCC(C)O2)ccc1Cl
InChIInChI=1S/C13H18ClNO2/c1-8-3-6-11(17-8)13(15)9-4-5-10(14)12(7-9)16-2/h4-5,7-8,11,13H,3,6,15H2,1-2H3
InChIKeyXIJZCCQWUWQXQV-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.92
Rot. Bonds3

About (4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanamine

(4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanamine (PubChem CID 105006851) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanamine
PubChem CID105006851
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name(4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanamine
SMILESCOc1cc(C(N)C2CCC(C)O2)ccc1Cl
InChIInChI=1S/C13H18ClNO2/c1-8-3-6-11(17-8)13(15)9-4-5-10(14)12(7-9)16-2/h4-5,7-8,11,13H,3,6,15H2,1-2H3
InChIKeyXIJZCCQWUWQXQV-UHFFFAOYSA-N
XLogP2.92
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanol
CID 82838251
(4-chloro-3-methoxyphenyl)-(oxolan-2-yl)methanamine
CID 79699913
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 79697209
(3-chlorophenyl)-(5-methyloxolan-2-yl)methanamine
CID 115811426
(4-chloro-3-methoxyphenyl)-(4-methylmorpholin-2-yl)methanamine
CID 79699140
1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 81330123
(2-chloro-5-fluorophenyl)-(5-methyloxolan-2-yl)methanamine
CID 105396850
1,3-dihydro-2-benzofuran-5-yl-(5-methyloxolan-2-yl)methanamine
CID 81329935
2-[bromo-(3,4-dimethoxyphenyl)methyl]-5-methyloxolane
CID 81326671
[(3,4-dimethoxyphenyl)-(5-methyloxolan-2-yl)methyl]hydrazine
CID 105301173
(2-fluoro-4,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine
CID 81331181
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 79699671

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanamine?
The IUPAC name of (4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanamine (CID 105006851) is (4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanamine.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanamine?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanamine is COc1cc(C(N)C2CCC(C)O2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanamine?
The InChIKey is XIJZCCQWUWQXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-8-3-6-11(17-8)13(15)9-4-5-10(14)12(7-9)16-2/h4-5,7-8,11,13H,3,6,15H2,1-2H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanamine?
(4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanamine has a molecular weight of 255.75 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 105006851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).