1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine

C17H25Cl2N — CID 13083282

IUPAC1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine
SMILESCC(C)CC(N(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C17H25Cl2N/c1-12(2)10-16(20(3)4)17(8-5-9-17)13-6-7-14(18)15(19)11-13/h6-7,11-12,16H,5,8-10H2,1-4H3
InChIKeyAYHHTXUMSBRQFM-UHFFFAOYSA-N
MW314.30 g/mol
LogP5.39
Rot. Bonds5

About 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine

1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine (PubChem CID 13083282) has the molecular formula C17H25Cl2N and a molecular weight of 314.30 g/mol. Its IUPAC name is 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine
PubChem CID13083282
Molecular FormulaC17H25Cl2N
Molecular Weight314.30 g/mol
Exact Mass313.14
IUPAC Name1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine
SMILESCC(C)CC(N(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C17H25Cl2N/c1-12(2)10-16(20(3)4)17(8-5-9-17)13-6-7-14(18)15(19)11-13/h6-7,11-12,16H,5,8-10H2,1-4H3
InChIKeyAYHHTXUMSBRQFM-UHFFFAOYSA-N
XLogP5.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.30
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 5210
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(RS/SR)-2-[1-(3,4-dichlorophenyl)butyl]piperidine
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Lauryldimethyl-3,4-dichlorobenzylammonium chloride
CID 7605
Meridia
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[2-(3,4-Dichloro-phenyl)-ethyl]-methyl-(1-methyl-2-pyrrolidin-1-yl-ethyl)-amine
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1-(1-(3,4-Dichlorophenyl)cyclohexyl)-3-methylbutan-1-amine
CID 24860903
N-((1-(3,4-dichlorophenyl)cyclohexyl)methyl)-N-methylethanamine
CID 53317143
1-((1-(3,4-Dichlorophenyl)cyclohexyl)methyl)-4-methylpiperazine
CID 53317144
n-((1-(3,4-Dichlorophenyl)cyclohexyl)methyl)-n-ethylethanamine
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1-(1-(3,4-dichlorophenyl)cyclohexyl)-N,N-dimethylmethanamine
CID 53321058

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine?
The IUPAC name of 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine (CID 13083282) is 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine.
What is the SMILES notation for 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine?
The canonical SMILES for 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine is CC(C)CC(N(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1.
What is the InChIKey of 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine?
The InChIKey is AYHHTXUMSBRQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N/c1-12(2)10-16(20(3)4)17(8-5-9-17)13-6-7-14(18)15(19)11-13/h6-7,11-12,16H,5,8-10H2,1-4H3.
What are the key properties of 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine?
1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine has a molecular weight of 314.30 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine is sourced from PubChem (CID 13083282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).