3-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-1-amine

C13H20ClNO — CID 82265297

IUPAC3-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-1-amine
SMILESCCOc1cc(C)c(Cl)c(C)c1CCCN
InChIInChI=1S/C13H20ClNO/c1-4-16-12-8-9(2)13(14)10(3)11(12)6-5-7-15/h8H,4-7,15H2,1-3H3
InChIKeyQJAYESUUYYZXQJ-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.25
Rot. Bonds5

About 3-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-1-amine

3-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-1-amine (PubChem CID 82265297) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 3-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-1-amine
PubChem CID82265297
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name3-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-1-amine
SMILESCCOc1cc(C)c(Cl)c(C)c1CCCN
InChIInChI=1S/C13H20ClNO/c1-4-16-12-8-9(2)13(14)10(3)11(12)6-5-7-15/h8H,4-7,15H2,1-3H3
InChIKeyQJAYESUUYYZXQJ-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

4-(3-chloro-6-ethoxy-2,4-dimethylphenyl)butan-1-amine
CID 83937899
5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentan-2-amine
CID 83937893
3-chloro-6-ethoxy-2,4-dimethylaniline
CID 82053344
2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)ethanamine
CID 82053378
3-(5-chloro-4-ethoxy-2-methylphenyl)propan-1-amine
CID 95447725
5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentane-2,3-diol
CID 83937949
N'-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]ethane-1,2-diamine
CID 115195431
1-[2-(3-chloro-6-ethoxy-2,4-dimethylphenyl)ethyl]piperazine
CID 82265314
3-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-1-amine
CID 117361455
4-(3-chloro-6-ethoxy-2,4-dimethylphenyl)-3-methylbutanethioamide
CID 83937886
2,4-dichloro-1,5-diethoxy-3-methylbenzene
CID 90436867
2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-N-methylethanamine
CID 82553120

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-1-amine?
The IUPAC name of 3-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-1-amine (CID 82265297) is 3-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-1-amine?
The canonical SMILES for 3-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-1-amine is CCOc1cc(C)c(Cl)c(C)c1CCCN.
What is the InChIKey of 3-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-1-amine?
The InChIKey is QJAYESUUYYZXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-4-16-12-8-9(2)13(14)10(3)11(12)6-5-7-15/h8H,4-7,15H2,1-3H3.
What are the key properties of 3-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-1-amine?
3-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-1-amine 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 3-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-1-amine is sourced from PubChem (CID 82265297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).