N-(5-chloro-2-ethoxyphenyl)oxan-4-amine

C13H18ClNO2 — CID 54865465

IUPACN-(5-chloro-2-ethoxyphenyl)oxan-4-amine
SMILESCCOc1ccc(Cl)cc1NC1CCOCC1
InChIInChI=1S/C13H18ClNO2/c1-2-17-13-4-3-10(14)9-12(13)15-11-5-7-16-8-6-11/h3-4,9,11,15H,2,5-8H2,1H3
InChIKeyQBKYTLNXKZDISH-UHFFFAOYSA-N
MW255.74 g/mol
LogP3.33
Rot. Bonds4

About N-(5-chloro-2-ethoxyphenyl)oxan-4-amine

N-(5-chloro-2-ethoxyphenyl)oxan-4-amine (PubChem CID 54865465) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is N-(5-chloro-2-ethoxyphenyl)oxan-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2-ethoxyphenyl)oxan-4-amine
PubChem CID54865465
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC NameN-(5-chloro-2-ethoxyphenyl)oxan-4-amine
SMILESCCOc1ccc(Cl)cc1NC1CCOCC1
InChIInChI=1S/C13H18ClNO2/c1-2-17-13-4-3-10(14)9-12(13)15-11-5-7-16-8-6-11/h3-4,9,11,15H,2,5-8H2,1H3
InChIKeyQBKYTLNXKZDISH-UHFFFAOYSA-N
XLogP3.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-ethoxyphenyl)cycloheptanamine
CID 55191401
1-benzyl-N-(5-chloro-2-ethoxyphenyl)piperidin-4-amine
CID 113232473
5-chloro-N-cyclohexyl-2-propoxyaniline
CID 63453197
N-(2,5-dichlorophenyl)oxepan-4-amine
CID 65076765
N-(5-chloro-2-propoxyphenyl)piperidin-4-amine
CID 54907041
5-chloro-2-ethoxy-N-(3,3,5-trimethylcyclohexyl)aniline
CID 63450861
N-(4-ethoxy-3-fluorophenyl)oxepan-4-amine
CID 115919016
5-chloro-N-(dicyclopropylmethyl)-2-ethoxyaniline
CID 54865533
N-(5-chloro-2-ethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364394
5-chloro-2-ethoxy-N-[(3-methyloxetan-3-yl)methyl]aniline
CID 107235373
5-chloro-2-ethoxy-N-(2-methylsulfonylcyclopentyl)aniline
CID 65046198
N-(5-chloro-2-methoxyphenyl)-1-propylazepan-4-amine
CID 65072787

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-ethoxyphenyl)oxan-4-amine?
The IUPAC name of N-(5-chloro-2-ethoxyphenyl)oxan-4-amine (CID 54865465) is N-(5-chloro-2-ethoxyphenyl)oxan-4-amine.
What is the SMILES notation for N-(5-chloro-2-ethoxyphenyl)oxan-4-amine?
The canonical SMILES for N-(5-chloro-2-ethoxyphenyl)oxan-4-amine is CCOc1ccc(Cl)cc1NC1CCOCC1.
What is the InChIKey of N-(5-chloro-2-ethoxyphenyl)oxan-4-amine?
The InChIKey is QBKYTLNXKZDISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-2-17-13-4-3-10(14)9-12(13)15-11-5-7-16-8-6-11/h3-4,9,11,15H,2,5-8H2,1H3.
What are the key properties of N-(5-chloro-2-ethoxyphenyl)oxan-4-amine?
N-(5-chloro-2-ethoxyphenyl)oxan-4-amine has a molecular weight of 255.74 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-ethoxyphenyl)oxan-4-amine is sourced from PubChem (CID 54865465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).