1-(4-chloro-2-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine

C14H22ClNO — CID 105013762

IUPAC1-(4-chloro-2-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)C(NC)c1ccc(Cl)cc1OC
InChIInChI=1S/C14H22ClNO/c1-5-10(6-2)14(16-3)12-8-7-11(15)9-13(12)17-4/h7-10,14,16H,5-6H2,1-4H3
InChIKeyBHNDFHVAGHFXEL-UHFFFAOYSA-N
MW255.79 g/mol
LogP4.05
Rot. Bonds6

About 1-(4-chloro-2-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine

1-(4-chloro-2-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine (PubChem CID 105013762) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-2-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine
PubChem CID105013762
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name1-(4-chloro-2-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)C(NC)c1ccc(Cl)cc1OC
InChIInChI=1S/C14H22ClNO/c1-5-10(6-2)14(16-3)12-8-7-11(15)9-13(12)17-4/h7-10,14,16H,5-6H2,1-4H3
InChIKeyBHNDFHVAGHFXEL-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-methoxyphenyl)-N,2-dimethylpropan-1-amine
CID 114978300
1-(4-chloro-2-methoxyphenyl)propan-1-ol
CID 115787726
2-(aminomethyl)-1-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 65188070
1-(4-chloro-2-methoxyphenyl)-N-methylprop-2-en-1-amine
CID 105000664
1-(4-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine
CID 115845267
2-ethyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43487704
(1R)-1-(4-chlorophenyl)-2-ethyl-N-methylbutan-1-amine
CID 93063130
(1R)-1-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 106820012
1-(4-chloro-2-methoxyphenyl)-N-ethylprop-2-yn-1-amine
CID 104995481
1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954303
1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 167530953
1-(2-chloro-5-fluorophenyl)-2-ethyl-N-methylbutan-1-amine
CID 105397290

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine?
The IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine (CID 105013762) is 1-(4-chloro-2-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine.
What is the SMILES notation for 1-(4-chloro-2-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine?
The canonical SMILES for 1-(4-chloro-2-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine is CCC(CC)C(NC)c1ccc(Cl)cc1OC.
What is the InChIKey of 1-(4-chloro-2-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine?
The InChIKey is BHNDFHVAGHFXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-5-10(6-2)14(16-3)12-8-7-11(15)9-13(12)17-4/h7-10,14,16H,5-6H2,1-4H3.
What are the key properties of 1-(4-chloro-2-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine?
1-(4-chloro-2-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine is sourced from PubChem (CID 105013762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).