2-(3-chloro-4-propan-2-yloxyphenyl)ethanamine

C11H16ClNO — CID 843754

IUPAC2-(3-chloro-4-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccc(CCN)cc1Cl
InChIInChI=1S/C11H16ClNO/c1-8(2)14-11-4-3-9(5-6-13)7-10(11)12/h3-4,7-8H,5-6,13H2,1-2H3
InChIKeyIMPQKAPHOHUGHT-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.63
Rot. Bonds4

About 2-(3-chloro-4-propan-2-yloxyphenyl)ethanamine

2-(3-chloro-4-propan-2-yloxyphenyl)ethanamine (PubChem CID 843754) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-(3-chloro-4-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-propan-2-yloxyphenyl)ethanamine
PubChem CID843754
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-(3-chloro-4-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccc(CCN)cc1Cl
InChIInChI=1S/C11H16ClNO/c1-8(2)14-11-4-3-9(5-6-13)7-10(11)12/h3-4,7-8H,5-6,13H2,1-2H3
InChIKeyIMPQKAPHOHUGHT-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of 2-(3-chloro-4-propan-2-yloxyphenyl)ethanamine (CID 843754) is 2-(3-chloro-4-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-propan-2-yloxyphenyl)ethanamine is CC(C)Oc1ccc(CCN)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-propan-2-yloxyphenyl)ethanamine?
The InChIKey is IMPQKAPHOHUGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-8(2)14-11-4-3-9(5-6-13)7-10(11)12/h3-4,7-8H,5-6,13H2,1-2H3.
What are the key properties of 2-(3-chloro-4-propan-2-yloxyphenyl)ethanamine?
2-(3-chloro-4-propan-2-yloxyphenyl)ethanamine has a molecular weight of 213.71 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 843754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).