(5-chloro-2-methoxyphenyl)-(2-ethyloxolan-3-yl)methanamine

C14H20ClNO2 — CID 114104288

IUPAC(5-chloro-2-methoxyphenyl)-(2-ethyloxolan-3-yl)methanamine
SMILESCCC1OCCC1C(N)c1cc(Cl)ccc1OC
InChIInChI=1S/C14H20ClNO2/c1-3-12-10(6-7-18-12)14(16)11-8-9(15)4-5-13(11)17-2/h4-5,8,10,12,14H,3,6-7,16H2,1-2H3
InChIKeyBTNRCJGFGKTJQV-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.16
Rot. Bonds4

About (5-chloro-2-methoxyphenyl)-(2-ethyloxolan-3-yl)methanamine

(5-chloro-2-methoxyphenyl)-(2-ethyloxolan-3-yl)methanamine (PubChem CID 114104288) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(2-ethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(2-ethyloxolan-3-yl)methanamine
PubChem CID114104288
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name(5-chloro-2-methoxyphenyl)-(2-ethyloxolan-3-yl)methanamine
SMILESCCC1OCCC1C(N)c1cc(Cl)ccc1OC
InChIInChI=1S/C14H20ClNO2/c1-3-12-10(6-7-18-12)14(16)11-8-9(15)4-5-13(11)17-2/h4-5,8,10,12,14H,3,6-7,16H2,1-2H3
InChIKeyBTNRCJGFGKTJQV-UHFFFAOYSA-N
XLogP3.16
TPSA44.48 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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(5-chloro-2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 171244638
(5-chloro-2-methoxyphenyl)-cycloheptylmethanamine
CID 65399712
(5-chloro-2-methoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105140994
3-[amino-(5-chloro-2-methoxyphenyl)methyl]cyclobutan-1-amine
CID 116937310
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 113425485
(5-chloro-2-methoxyphenyl)-(1,4-oxathian-2-yl)methanamine
CID 79963116
(5-chloro-2-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016736
(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107001396
1-(5-chloro-2-methoxyphenyl)-N'-cyclopropylethane-1,2-diamine
CID 116935148
2-(2,5-difluorophenyl)-1-(2-ethyloxolan-3-yl)ethanamine
CID 114104181
(1S)-1-(5-chloro-2-methoxyphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171234667
(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride
CID 171215023

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(2-ethyloxolan-3-yl)methanamine?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(2-ethyloxolan-3-yl)methanamine (CID 114104288) is (5-chloro-2-methoxyphenyl)-(2-ethyloxolan-3-yl)methanamine.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(2-ethyloxolan-3-yl)methanamine?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(2-ethyloxolan-3-yl)methanamine is CCC1OCCC1C(N)c1cc(Cl)ccc1OC.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(2-ethyloxolan-3-yl)methanamine?
The InChIKey is BTNRCJGFGKTJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-3-12-10(6-7-18-12)14(16)11-8-9(15)4-5-13(11)17-2/h4-5,8,10,12,14H,3,6-7,16H2,1-2H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-(2-ethyloxolan-3-yl)methanamine?
(5-chloro-2-methoxyphenyl)-(2-ethyloxolan-3-yl)methanamine has a molecular weight of 269.77 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-(2-ethyloxolan-3-yl)methanamine is sourced from PubChem (CID 114104288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).