1-(5-chloro-2-methoxyphenyl)-2-ethoxy-2-methylpropan-1-amine

C13H20ClNO2 — CID 116726239

IUPAC1-(5-chloro-2-methoxyphenyl)-2-ethoxy-2-methylpropan-1-amine
SMILESCCOC(C)(C)C(N)c1cc(Cl)ccc1OC
InChIInChI=1S/C13H20ClNO2/c1-5-17-13(2,3)12(15)10-8-9(14)6-7-11(10)16-4/h6-8,12H,5,15H2,1-4H3
InChIKeyIQYLEHBPTVEETE-UHFFFAOYSA-N
MW257.76 g/mol
LogP3.16
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-2-ethoxy-2-methylpropan-1-amine

1-(5-chloro-2-methoxyphenyl)-2-ethoxy-2-methylpropan-1-amine (PubChem CID 116726239) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-ethoxy-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-ethoxy-2-methylpropan-1-amine
PubChem CID116726239
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-ethoxy-2-methylpropan-1-amine
SMILESCCOC(C)(C)C(N)c1cc(Cl)ccc1OC
InChIInChI=1S/C13H20ClNO2/c1-5-17-13(2,3)12(15)10-8-9(14)6-7-11(10)16-4/h6-8,12H,5,15H2,1-4H3
InChIKeyIQYLEHBPTVEETE-UHFFFAOYSA-N
XLogP3.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 130039782
(3S)-3-amino-3-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-ol
CID 171244642
1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 66511237
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 56971852
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171244636
(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride
CID 171215023
ethyl (3S)-3-amino-3-(5-chloro-2-methoxyphenyl)-2,2-difluoropropanoate;hydrochloride
CID 171251366
1-(5-chloro-2-methoxyphenyl)-2,2-diethoxyethanamine
CID 79495966
1-(5-chloro-2-methoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79060283
3-[amino-(5-chloro-2-methoxyphenyl)methyl]cyclobutan-1-amine
CID 116937310
2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 116937510
1-(4-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 112705535

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-ethoxy-2-methylpropan-1-amine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-ethoxy-2-methylpropan-1-amine (CID 116726239) is 1-(5-chloro-2-methoxyphenyl)-2-ethoxy-2-methylpropan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-ethoxy-2-methylpropan-1-amine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-ethoxy-2-methylpropan-1-amine is CCOC(C)(C)C(N)c1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-ethoxy-2-methylpropan-1-amine?
The InChIKey is IQYLEHBPTVEETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-5-17-13(2,3)12(15)10-8-9(14)6-7-11(10)16-4/h6-8,12H,5,15H2,1-4H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-ethoxy-2-methylpropan-1-amine?
1-(5-chloro-2-methoxyphenyl)-2-ethoxy-2-methylpropan-1-amine has a molecular weight of 257.76 g/mol, XLogP of 3.16, 5 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)-2-ethoxy-2-methylpropan-1-amine is sourced from PubChem (CID 116726239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).