1-(4-chloro-3-methoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine

C15H24ClNO2 — CID 105164508

IUPAC1-(4-chloro-3-methoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
SMILESCCNC(CC(C)COC)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C15H24ClNO2/c1-5-17-14(8-11(2)10-18-3)12-6-7-13(16)15(9-12)19-4/h6-7,9,11,14,17H,5,8,10H2,1-4H3
InChIKeyCLBDJISWTDMLSD-UHFFFAOYSA-N
MW285.81 g/mol
LogP3.67
Rot. Bonds8

About 1-(4-chloro-3-methoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine

1-(4-chloro-3-methoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine (PubChem CID 105164508) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
PubChem CID105164508
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name1-(4-chloro-3-methoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
SMILESCCNC(CC(C)COC)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C15H24ClNO2/c1-5-17-14(8-11(2)10-18-3)12-6-7-13(16)15(9-12)19-4/h6-7,9,11,14,17H,5,8,10H2,1-4H3
InChIKeyCLBDJISWTDMLSD-UHFFFAOYSA-N
XLogP3.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-5-fluorophenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105397468
1-(3,5-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105168340
1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105188719
1-(4-chloro-3-methoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 105164504
1-(4-chloro-3-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103559564
N-ethyl-1-(3-methoxy-4-methylphenyl)-3-methylbutan-1-amine
CID 115782382
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105143343
N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylbutan-1-amine
CID 115782357
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105180141
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
N-[1-(4-chloro-3-methoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 79698032
1-(4-chloro-3-methoxyphenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 105164610

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine (CID 105164508) is 1-(4-chloro-3-methoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine is CCNC(CC(C)COC)c1ccc(Cl)c(OC)c1.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine?
The InChIKey is CLBDJISWTDMLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2/c1-5-17-14(8-11(2)10-18-3)12-6-7-13(16)15(9-12)19-4/h6-7,9,11,14,17H,5,8,10H2,1-4H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine?
1-(4-chloro-3-methoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine has a molecular weight of 285.81 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 105164508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).