2-[3-chloro-4-(2-propoxyphenoxy)phenyl]ethanamine

C17H20ClNO2 — CID 81159937

IUPAC2-[3-chloro-4-(2-propoxyphenoxy)phenyl]ethanamine
SMILESCCCOc1ccccc1Oc1ccc(CCN)cc1Cl
InChIInChI=1S/C17H20ClNO2/c1-2-11-20-16-5-3-4-6-17(16)21-15-8-7-13(9-10-19)12-14(15)18/h3-8,12H,2,9-11,19H2,1H3
InChIKeyBOLNHCZNLFWBMH-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.42
Rot. Bonds7

About 2-[3-chloro-4-(2-propoxyphenoxy)phenyl]ethanamine

2-[3-chloro-4-(2-propoxyphenoxy)phenyl]ethanamine (PubChem CID 81159937) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-[3-chloro-4-(2-propoxyphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-chloro-4-(2-propoxyphenoxy)phenyl]ethanamine
PubChem CID81159937
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name2-[3-chloro-4-(2-propoxyphenoxy)phenyl]ethanamine
SMILESCCCOc1ccccc1Oc1ccc(CCN)cc1Cl
InChIInChI=1S/C17H20ClNO2/c1-2-11-20-16-5-3-4-6-17(16)21-15-8-7-13(9-10-19)12-14(15)18/h3-8,12H,2,9-11,19H2,1H3
InChIKeyBOLNHCZNLFWBMH-UHFFFAOYSA-N
XLogP4.42
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

[3-chloro-4-(2-propoxyphenoxy)phenyl]methanol
CID 81151158
2-(3-chloro-4-nonoxyphenyl)ethanamine
CID 63421979
2-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanamine
CID 81166256
2-chloro-1-propoxy-4-propylbenzene;ethane
CID 143012036
2-(3-phenyl-4-propoxyphenyl)ethanamine
CID 170888303
2-[4-(2-ethoxyphenoxy)-3-fluorophenyl]ethanamine
CID 63817515
2-[3-chloro-4-(5-chloro-2-methylphenoxy)phenyl]ethanamine
CID 81160082
2-(4-butoxy-3-ethoxyphenyl)ethanamine
CID 20982697
4-(3-chloro-4-propoxyphenyl)butan-2-amine
CID 83952879
[3-chloro-4-(4-propoxyphenoxy)phenyl]methanamine
CID 63087182
1-[3-chloro-4-(2-ethoxyphenoxy)phenyl]propan-2-amine
CID 81159950
1-[5-chloro-2-(2-propoxyphenoxy)phenyl]-N-methylmethanamine
CID 114855156

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(2-propoxyphenoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-chloro-4-(2-propoxyphenoxy)phenyl]ethanamine (CID 81159937) is 2-[3-chloro-4-(2-propoxyphenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-chloro-4-(2-propoxyphenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-chloro-4-(2-propoxyphenoxy)phenyl]ethanamine is CCCOc1ccccc1Oc1ccc(CCN)cc1Cl.
What is the InChIKey of 2-[3-chloro-4-(2-propoxyphenoxy)phenyl]ethanamine?
The InChIKey is BOLNHCZNLFWBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-2-11-20-16-5-3-4-6-17(16)21-15-8-7-13(9-10-19)12-14(15)18/h3-8,12H,2,9-11,19H2,1H3.
What are the key properties of 2-[3-chloro-4-(2-propoxyphenoxy)phenyl]ethanamine?
2-[3-chloro-4-(2-propoxyphenoxy)phenyl]ethanamine has a molecular weight of 305.81 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(2-propoxyphenoxy)phenyl]ethanamine is sourced from PubChem (CID 81159937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).