2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)ethanamine

C13H20ClNO — CID 82053378

IUPAC2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)ethanamine
SMILESCCCOc1cc(C)c(Cl)c(C)c1CCN
InChIInChI=1S/C13H20ClNO/c1-4-7-16-12-8-9(2)13(14)10(3)11(12)5-6-15/h8H,4-7,15H2,1-3H3
InChIKeyBJKWQMUJTMNYPB-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.25
Rot. Bonds5

About 2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)ethanamine

2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)ethanamine (PubChem CID 82053378) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)ethanamine
PubChem CID82053378
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)ethanamine
SMILESCCCOc1cc(C)c(Cl)c(C)c1CCN
InChIInChI=1S/C13H20ClNO/c1-4-7-16-12-8-9(2)13(14)10(3)11(12)5-6-15/h8H,4-7,15H2,1-3H3
InChIKeyBJKWQMUJTMNYPB-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2,4-dimethyl-6-propoxyaniline
CID 82053375
2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-N-methylethanamine
CID 82553120
3-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-1-amine
CID 82265297
4-(3-chloro-6-ethoxy-2,4-dimethylphenyl)butan-1-amine
CID 83937899
1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)butan-2-amine
CID 170890034
2-(aminomethyl)-4-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-3-methylbutan-1-ol
CID 83937981
5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentan-2-amine
CID 83937893
N'-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]ethane-1,2-diamine
CID 115195431
3-chloro-6-ethoxy-2,4-dimethylaniline
CID 82053344
3-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-2-methylbutanethioamide
CID 83938004
1,2,3,4-tetramethyl-5-propoxybenzene
CID 143028127
2-chloro-1,3-dimethyl-5-propoxybenzene
CID 123140196

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)ethanamine?
The IUPAC name of 2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)ethanamine (CID 82053378) is 2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)ethanamine?
The canonical SMILES for 2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)ethanamine is CCCOc1cc(C)c(Cl)c(C)c1CCN.
What is the InChIKey of 2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)ethanamine?
The InChIKey is BJKWQMUJTMNYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-4-7-16-12-8-9(2)13(14)10(3)11(12)5-6-15/h8H,4-7,15H2,1-3H3.
What are the key properties of 2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)ethanamine?
2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)ethanamine has a molecular weight of 241.76 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)ethanamine is sourced from PubChem (CID 82053378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).