1-[2-chloro-6-(3-ethoxyphenoxy)phenyl]propan-2-amine

C17H20ClNO2 — CID 63802149

IUPAC1-[2-chloro-6-(3-ethoxyphenoxy)phenyl]propan-2-amine
SMILESCCOc1cccc(Oc2cccc(Cl)c2CC(C)N)c1
InChIInChI=1S/C17H20ClNO2/c1-3-20-13-6-4-7-14(11-13)21-17-9-5-8-16(18)15(17)10-12(2)19/h4-9,11-12H,3,10,19H2,1-2H3
InChIKeyYUQXWECQKGFSMI-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.42
Rot. Bonds6

About 1-[2-chloro-6-(3-ethoxyphenoxy)phenyl]propan-2-amine

1-[2-chloro-6-(3-ethoxyphenoxy)phenyl]propan-2-amine (PubChem CID 63802149) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-[2-chloro-6-(3-ethoxyphenoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-chloro-6-(3-ethoxyphenoxy)phenyl]propan-2-amine
PubChem CID63802149
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name1-[2-chloro-6-(3-ethoxyphenoxy)phenyl]propan-2-amine
SMILESCCOc1cccc(Oc2cccc(Cl)c2CC(C)N)c1
InChIInChI=1S/C17H20ClNO2/c1-3-20-13-6-4-7-14(11-13)21-17-9-5-8-16(18)15(17)10-12(2)19/h4-9,11-12H,3,10,19H2,1-2H3
InChIKeyYUQXWECQKGFSMI-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-chloro-6-(4-ethoxyphenoxy)phenyl]propan-2-amine
CID 63816825
1-[2-chloro-6-(3-ethylphenoxy)phenyl]propan-2-amine
CID 63815753
1-[2-chloro-6-(3-chloro-4-fluorophenoxy)phenyl]propan-2-amine
CID 63880238
1-[2-chloro-6-(4-chloro-3,5-dimethylphenoxy)phenyl]propan-2-amine
CID 63803488
1-[2-(3-ethoxyphenoxy)phenyl]propan-1-amine
CID 115995673
1-[2-chloro-6-(2-methylpropoxy)phenyl]propan-2-amine
CID 114321739
ethyl 2-[2-(2-aminopropyl)-3-chlorophenoxy]acetate
CID 114321887
(2S)-1-(3-ethoxyphenoxy)propan-2-amine
CID 79002236
1-(2-chloro-6-ethoxyphenyl)butan-2-amine
CID 114322005
1-[3-chloro-4-(3-ethoxyphenoxy)phenyl]ethanol
CID 62911183
1-[3-(4-ethoxyphenoxy)phenyl]propan-2-amine
CID 63941952
1-[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]propan-2-amine
CID 114321838

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(3-ethoxyphenoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[2-chloro-6-(3-ethoxyphenoxy)phenyl]propan-2-amine (CID 63802149) is 1-[2-chloro-6-(3-ethoxyphenoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-chloro-6-(3-ethoxyphenoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-chloro-6-(3-ethoxyphenoxy)phenyl]propan-2-amine is CCOc1cccc(Oc2cccc(Cl)c2CC(C)N)c1.
What is the InChIKey of 1-[2-chloro-6-(3-ethoxyphenoxy)phenyl]propan-2-amine?
The InChIKey is YUQXWECQKGFSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-3-20-13-6-4-7-14(11-13)21-17-9-5-8-16(18)15(17)10-12(2)19/h4-9,11-12H,3,10,19H2,1-2H3.
What are the key properties of 1-[2-chloro-6-(3-ethoxyphenoxy)phenyl]propan-2-amine?
1-[2-chloro-6-(3-ethoxyphenoxy)phenyl]propan-2-amine has a molecular weight of 305.81 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(3-ethoxyphenoxy)phenyl]propan-2-amine is sourced from PubChem (CID 63802149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).