N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxy-4-methylpentan-2-amine

C15H23Cl2NO — CID 43147148

IUPACN-[1-(3,4-dichlorophenyl)ethyl]-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(C)NC(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H23Cl2NO/c1-10(9-15(3,4)19-5)18-11(2)12-6-7-13(16)14(17)8-12/h6-8,10-11,18H,9H2,1-5H3
InChIKeyGLXHBESJYLMZLU-UHFFFAOYSA-N
MW304.26 g/mol
LogP4.85
Rot. Bonds6

About N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxy-4-methylpentan-2-amine

N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxy-4-methylpentan-2-amine (PubChem CID 43147148) has the molecular formula C15H23Cl2NO and a molecular weight of 304.26 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)ethyl]-4-methoxy-4-methylpentan-2-amine
PubChem CID43147148
Molecular FormulaC15H23Cl2NO
Molecular Weight304.26 g/mol
Exact Mass303.12
IUPAC NameN-[1-(3,4-dichlorophenyl)ethyl]-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(C)NC(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H23Cl2NO/c1-10(9-15(3,4)19-5)18-11(2)12-6-7-13(16)14(17)8-12/h6-8,10-11,18H,9H2,1-5H3
InChIKeyGLXHBESJYLMZLU-UHFFFAOYSA-N
XLogP4.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]pentan-2-amine
CID 43712720
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 103711036
N-[1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43191934
4-methoxy-4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-2-amine
CID 81349447
4-methoxy-4-methyl-N-[(1S)-1-phenylethyl]pentan-2-amine
CID 81351575
(2R)-2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]propan-1-ol
CID 93082510
1-(3,4-dichlorophenyl)-3-methoxy-3-methylbutan-1-amine
CID 103024800
N-[1-(3,4-dichlorophenyl)ethyl]-5-methylhexan-2-amine
CID 43108567
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
CID 43689410
4-methoxy-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pentan-2-amine
CID 43693156
N-[1-(3,4-dichlorophenyl)ethyl]-3-methylpentan-2-amine
CID 43102306
N-[1-(4-chloro-3-fluorophenyl)ethyl]-4,4,4-trifluorobutan-2-amine
CID 103906173

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxy-4-methylpentan-2-amine (CID 43147148) is N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxy-4-methylpentan-2-amine is COC(C)(C)CC(C)NC(C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxy-4-methylpentan-2-amine?
The InChIKey is GLXHBESJYLMZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO/c1-10(9-15(3,4)19-5)18-11(2)12-6-7-13(16)14(17)8-12/h6-8,10-11,18H,9H2,1-5H3.
What are the key properties of N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxy-4-methylpentan-2-amine?
N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxy-4-methylpentan-2-amine has a molecular weight of 304.26 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 43147148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).