1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)ethanamine

C13H20ClNO — CID 82265941

IUPAC1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)ethanamine
SMILESCCOc1c(C(C)C)cc(Cl)cc1C(C)N
InChIInChI=1S/C13H20ClNO/c1-5-16-13-11(8(2)3)6-10(14)7-12(13)9(4)15/h6-9H,5,15H2,1-4H3
InChIKeyMPCTVIZYMXTBPQ-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.88
Rot. Bonds4

About 1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)ethanamine

1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)ethanamine (PubChem CID 82265941) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)ethanamine
PubChem CID82265941
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)ethanamine
SMILESCCOc1c(C(C)C)cc(Cl)cc1C(C)N
InChIInChI=1S/C13H20ClNO/c1-5-16-13-11(8(2)3)6-10(14)7-12(13)9(4)15/h6-9H,5,15H2,1-4H3
InChIKeyMPCTVIZYMXTBPQ-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)heptan-2-amine
CID 83938866
1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-ol
CID 82265954
4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)pentan-1-amine
CID 83938867
2-[3-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)butan-2-yl]propane-1,3-diamine
CID 83938859
4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)pentanenitrile
CID 83938868
5-chloro-2-ethoxy-1-pent-4-yn-2-yl-3-propan-2-ylbenzene
CID 83938841
2-[2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)butyl]propane-1,3-diamine
CID 83938825
2-amino-1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-4-(methylamino)butan-1-ol
CID 83938839
1-(3,5-dichloro-2-propoxyphenyl)ethanamine
CID 82267105
2-(aminomethyl)-4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexan-1-ol
CID 83938830
4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexane-1,2-diol
CID 83938916
5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)heptan-2-one
CID 83938826

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)ethanamine?
The IUPAC name of 1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)ethanamine (CID 82265941) is 1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)ethanamine is CCOc1c(C(C)C)cc(Cl)cc1C(C)N.
What is the InChIKey of 1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)ethanamine?
The InChIKey is MPCTVIZYMXTBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-5-16-13-11(8(2)3)6-10(14)7-12(13)9(4)15/h6-9H,5,15H2,1-4H3.
What are the key properties of 1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)ethanamine?
1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)ethanamine has a molecular weight of 241.76 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 82265941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).