2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine

C17H20ClNO2 — CID 105144621

IUPAC2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccc(C(N)COc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H20ClNO2/c1-12(2)21-15-8-6-13(7-9-15)17(19)11-20-16-5-3-4-14(18)10-16/h3-10,12,17H,11,19H2,1-2H3
InChIKeyMQNWMSTYLRJSNY-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.21
Rot. Bonds6

About 2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine

2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine (PubChem CID 105144621) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
PubChem CID105144621
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccc(C(N)COc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H20ClNO2/c1-12(2)21-15-8-6-13(7-9-15)17(19)11-20-16-5-3-4-14(18)10-16/h3-10,12,17H,11,19H2,1-2H3
InChIKeyMQNWMSTYLRJSNY-UHFFFAOYSA-N
XLogP4.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanol
CID 105095527
1-(3-chlorophenoxy)propan-2-amine;hydrochloride
CID 86262438
1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine
CID 105164447
1-chloro-3-propan-2-yloxybenzene;hydrazine
CID 174829987
2-(4-fluorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 16788405
3-[1-amino-2-(3-chlorophenoxy)ethyl]phenol
CID 117242718
1-(3-chlorophenoxy)-3-methylbutan-2-amine;hydrochloride
CID 86262539
1-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 117242744
2-[(6-methyl-2-pyridinyl)oxy]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 156820821
2-(3-chlorophenoxy)-1-quinolin-6-ylethanamine
CID 105172313
1-(3-chlorophenoxy)-5-methylhexan-2-amine
CID 105126678
1-(5-chloro-2-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine
CID 105140888

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of 2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine (CID 105144621) is 2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine is CC(C)Oc1ccc(C(N)COc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine?
The InChIKey is MQNWMSTYLRJSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-12(2)21-15-8-6-13(7-9-15)17(19)11-20-16-5-3-4-14(18)10-16/h3-10,12,17H,11,19H2,1-2H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine?
2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine has a molecular weight of 305.81 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 105144621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).