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

C17H26Cl3N — CID 13083283

IUPAC1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;hydrochloride
SMILESCC(C)CC(N(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1.Cl
InChIInChI=1S/C17H25Cl2N.ClH/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;1H
InChIKeyRTMMDRRRGLBKDZ-UHFFFAOYSA-N
MW350.76 g/mol
LogP5.81
Rot. Bonds5

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

1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;hydrochloride (PubChem CID 13083283) has the molecular formula C17H26Cl3N and a molecular weight of 350.76 g/mol. Its IUPAC name is 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;hydrochloride
PubChem CID13083283
Molecular FormulaC17H26Cl3N
Molecular Weight350.76 g/mol
Exact Mass349.11
IUPAC Name1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;hydrochloride
SMILESCC(C)CC(N(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1.Cl
InChIInChI=1S/C17H25Cl2N.ClH/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;1H
InChIKeyRTMMDRRRGLBKDZ-UHFFFAOYSA-N
XLogP5.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.76
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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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
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n-((1-(3,4-Dichlorophenyl)cyclohexyl)methyl)-n-ethylethanamine
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CID 53321058

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;hydrochloride?
The IUPAC name of 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;hydrochloride (CID 13083283) is 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;hydrochloride.
What is the SMILES notation for 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;hydrochloride?
The canonical SMILES for 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;hydrochloride is CC(C)CC(N(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1.Cl.
What is the InChIKey of 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;hydrochloride?
The InChIKey is RTMMDRRRGLBKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N.ClH/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;1H.
What are the key properties of 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;hydrochloride?
1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;hydrochloride has a molecular weight of 350.76 g/mol, XLogP of 5.81, 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;hydrochloride is sourced from PubChem (CID 13083283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).