1-(5-chloro-4-ethoxy-2,3-dimethylphenyl)butan-2-amine

C14H22ClNO — CID 170890049

IUPAC1-(5-chloro-4-ethoxy-2,3-dimethylphenyl)butan-2-amine
SMILESCCOc1c(Cl)cc(CC(N)CC)c(C)c1C
InChIInChI=1S/C14H22ClNO/c1-5-12(16)7-11-8-13(15)14(17-6-2)10(4)9(11)3/h8,12H,5-7,16H2,1-4H3
InChIKeyYICYOUDIYQPKMV-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.64
Rot. Bonds5

About 1-(5-chloro-4-ethoxy-2,3-dimethylphenyl)butan-2-amine

1-(5-chloro-4-ethoxy-2,3-dimethylphenyl)butan-2-amine (PubChem CID 170890049) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-(5-chloro-4-ethoxy-2,3-dimethylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-4-ethoxy-2,3-dimethylphenyl)butan-2-amine
PubChem CID170890049
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name1-(5-chloro-4-ethoxy-2,3-dimethylphenyl)butan-2-amine
SMILESCCOc1c(Cl)cc(CC(N)CC)c(C)c1C
InChIInChI=1S/C14H22ClNO/c1-5-12(16)7-11-8-13(15)14(17-6-2)10(4)9(11)3/h8,12H,5-7,16H2,1-4H3
InChIKeyYICYOUDIYQPKMV-UHFFFAOYSA-N
XLogP3.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2,3-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890039
1-[3-chloro-2-ethoxy-5-(ethoxymethyl)phenyl]butan-2-amine;hydrochloride
CID 170890050
1-(3-chloro-4-ethoxy-5-fluorophenyl)butan-2-amine
CID 170890061
1-(2-ethoxy-5-fluoro-3-methylphenyl)butan-2-amine
CID 170890449
1-(2-ethoxy-4,5-dimethylphenyl)butan-2-amine
CID 170890416
1-[3,5-dichloro-2-(methoxymethoxy)phenyl]butan-2-amine
CID 65364695
1-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)butan-2-amine;hydrochloride
CID 170889656
1-(4-ethoxy-2-methylphenyl)butan-2-amine
CID 13209708
1-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]butan-2-amine;hydrochloride
CID 170890086
1-(4-chloro-3-ethoxyphenyl)butan-2-amine
CID 118252081
1-[3-chloro-4-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-2-amine;hydrochloride
CID 170890029
4-[2-(2-aminobutyl)-4,6-dichlorophenoxy]butanenitrile
CID 54929145

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-ethoxy-2,3-dimethylphenyl)butan-2-amine?
The IUPAC name of 1-(5-chloro-4-ethoxy-2,3-dimethylphenyl)butan-2-amine (CID 170890049) is 1-(5-chloro-4-ethoxy-2,3-dimethylphenyl)butan-2-amine.
What is the SMILES notation for 1-(5-chloro-4-ethoxy-2,3-dimethylphenyl)butan-2-amine?
The canonical SMILES for 1-(5-chloro-4-ethoxy-2,3-dimethylphenyl)butan-2-amine is CCOc1c(Cl)cc(CC(N)CC)c(C)c1C.
What is the InChIKey of 1-(5-chloro-4-ethoxy-2,3-dimethylphenyl)butan-2-amine?
The InChIKey is YICYOUDIYQPKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-5-12(16)7-11-8-13(15)14(17-6-2)10(4)9(11)3/h8,12H,5-7,16H2,1-4H3.
What are the key properties of 1-(5-chloro-4-ethoxy-2,3-dimethylphenyl)butan-2-amine?
1-(5-chloro-4-ethoxy-2,3-dimethylphenyl)butan-2-amine has a molecular weight of 255.79 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-ethoxy-2,3-dimethylphenyl)butan-2-amine is sourced from PubChem (CID 170890049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).