2-(3-chloro-4-propoxyphenyl)ethanamine

C11H16ClNO — CID 2757886

IUPAC2-(3-chloro-4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(CCN)cc1Cl
InChIInChI=1S/C11H16ClNO/c1-2-7-14-11-4-3-9(5-6-13)8-10(11)12/h3-4,8H,2,5-7,13H2,1H3
InChIKeyWTNDKAJSVUCNFA-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.63
Rot. Bonds5

About 2-(3-chloro-4-propoxyphenyl)ethanamine

2-(3-chloro-4-propoxyphenyl)ethanamine (PubChem CID 2757886) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-(3-chloro-4-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-propoxyphenyl)ethanamine
PubChem CID2757886
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-(3-chloro-4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(CCN)cc1Cl
InChIInChI=1S/C11H16ClNO/c1-2-7-14-11-4-3-9(5-6-13)8-10(11)12/h3-4,8H,2,5-7,13H2,1H3
InChIKeyWTNDKAJSVUCNFA-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-propoxyphenyl)ethanamine?
The IUPAC name of 2-(3-chloro-4-propoxyphenyl)ethanamine (CID 2757886) is 2-(3-chloro-4-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-propoxyphenyl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-propoxyphenyl)ethanamine is CCCOc1ccc(CCN)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-propoxyphenyl)ethanamine?
The InChIKey is WTNDKAJSVUCNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-2-7-14-11-4-3-9(5-6-13)8-10(11)12/h3-4,8H,2,5-7,13H2,1H3.
What are the key properties of 2-(3-chloro-4-propoxyphenyl)ethanamine?
2-(3-chloro-4-propoxyphenyl)ethanamine has a molecular weight of 213.71 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-propoxyphenyl)ethanamine is sourced from PubChem (CID 2757886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).