1-(2-ethyl-4,5-dimethoxyphenyl)butan-2-amine;hydrochloride

C14H24ClNO2 — CID 170890492

IUPAC1-(2-ethyl-4,5-dimethoxyphenyl)butan-2-amine;hydrochloride
SMILESCCc1cc(OC)c(OC)cc1CC(N)CC.Cl
InChIInChI=1S/C14H23NO2.ClH/c1-5-10-8-13(16-3)14(17-4)9-11(10)7-12(15)6-2;/h8-9,12H,5-7,15H2,1-4H3;1H
InChIKeyKYKHBJDBVHFYBZ-UHFFFAOYSA-N
MW273.80 g/mol
LogP2.97
Rot. Bonds6

About 1-(2-ethyl-4,5-dimethoxyphenyl)butan-2-amine;hydrochloride

1-(2-ethyl-4,5-dimethoxyphenyl)butan-2-amine;hydrochloride (PubChem CID 170890492) has the molecular formula C14H24ClNO2 and a molecular weight of 273.80 g/mol. Its IUPAC name is 1-(2-ethyl-4,5-dimethoxyphenyl)butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-ethyl-4,5-dimethoxyphenyl)butan-2-amine;hydrochloride
PubChem CID170890492
Molecular FormulaC14H24ClNO2
Molecular Weight273.80 g/mol
Exact Mass273.15
IUPAC Name1-(2-ethyl-4,5-dimethoxyphenyl)butan-2-amine;hydrochloride
SMILESCCc1cc(OC)c(OC)cc1CC(N)CC.Cl
InChIInChI=1S/C14H23NO2.ClH/c1-5-10-8-13(16-3)14(17-4)9-11(10)7-12(15)6-2;/h8-9,12H,5-7,15H2,1-4H3;1H
InChIKeyKYKHBJDBVHFYBZ-UHFFFAOYSA-N
XLogP2.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.80
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminobutyl)-2,5-dimethoxyaniline;hydrochloride
CID 45264254
4-[(2R)-2-aminobutyl]-2,5-dimethoxyaniline
CID 54283299
1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine;ethane
CID 176553687
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680
1-(2,5-difluoro-4-methoxyphenyl)butan-2-amine
CID 170890367
1-(4-hexyl-2,5-dimethoxyphenyl)butan-2-amine
CID 165123636
1-[5-ethoxy-2-methoxy-4-(methoxymethyl)phenyl]butan-2-amine
CID 167243568
1-[4-(3,3-difluorobutyl)-2,5-dimethoxyphenyl]butan-2-amine
CID 176553694
3-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropanoic acid
CID 117384067
1-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butan-2-amine
CID 170890550
1-(4,7-dimethoxynaphthalen-1-yl)butan-2-amine;hydrochloride
CID 170889238
1-(2-methoxy-5-propylphenyl)butan-2-amine
CID 170890563

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4,5-dimethoxyphenyl)butan-2-amine;hydrochloride?
The IUPAC name of 1-(2-ethyl-4,5-dimethoxyphenyl)butan-2-amine;hydrochloride (CID 170890492) is 1-(2-ethyl-4,5-dimethoxyphenyl)butan-2-amine;hydrochloride.
What is the SMILES notation for 1-(2-ethyl-4,5-dimethoxyphenyl)butan-2-amine;hydrochloride?
The canonical SMILES for 1-(2-ethyl-4,5-dimethoxyphenyl)butan-2-amine;hydrochloride is CCc1cc(OC)c(OC)cc1CC(N)CC.Cl.
What is the InChIKey of 1-(2-ethyl-4,5-dimethoxyphenyl)butan-2-amine;hydrochloride?
The InChIKey is KYKHBJDBVHFYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2.ClH/c1-5-10-8-13(16-3)14(17-4)9-11(10)7-12(15)6-2;/h8-9,12H,5-7,15H2,1-4H3;1H.
What are the key properties of 1-(2-ethyl-4,5-dimethoxyphenyl)butan-2-amine;hydrochloride?
1-(2-ethyl-4,5-dimethoxyphenyl)butan-2-amine;hydrochloride has a molecular weight of 273.80 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4,5-dimethoxyphenyl)butan-2-amine;hydrochloride is sourced from PubChem (CID 170890492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).