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

C14H20Cl3N — CID 69397009

IUPAC4-[1-(3,4-dichlorophenyl)cyclobutyl]butan-1-amine;hydrochloride
SMILESCl.NCCCCC1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C14H19Cl2N.ClH/c15-12-5-4-11(10-13(12)16)14(7-3-8-14)6-1-2-9-17;/h4-5,10H,1-3,6-9,17H2;1H
InChIKeyCGQBOSONMSTWNG-UHFFFAOYSA-N
MW308.68 g/mol
LogP4.97
Rot. Bonds5

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

4-[1-(3,4-dichlorophenyl)cyclobutyl]butan-1-amine;hydrochloride (PubChem CID 69397009) has the molecular formula C14H20Cl3N and a molecular weight of 308.68 g/mol. Its IUPAC name is 4-[1-(3,4-dichlorophenyl)cyclobutyl]butan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-[1-(3,4-dichlorophenyl)cyclobutyl]butan-1-amine;hydrochloride
PubChem CID69397009
Molecular FormulaC14H20Cl3N
Molecular Weight308.68 g/mol
Exact Mass307.07
IUPAC Name4-[1-(3,4-dichlorophenyl)cyclobutyl]butan-1-amine;hydrochloride
SMILESCl.NCCCCC1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C14H19Cl2N.ClH/c15-12-5-4-11(10-13(12)16)14(7-3-8-14)6-1-2-9-17;/h4-5,10H,1-3,6-9,17H2;1H
InChIKeyCGQBOSONMSTWNG-UHFFFAOYSA-N
XLogP4.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.68
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(1-naphthalen-2-ylcyclobutyl)butan-1-amine;hydrochloride
CID 69399060
4-[1-(4-phenylphenyl)cyclobutyl]butan-1-amine;hydrochloride
CID 69400003
[1-(3-chloro-4-fluorophenyl)cyclobutyl]methanamine
CID 117304698
3-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]propan-1-ol
CID 11119744
4-[1-(4-chlorophenyl)cyclobutyl]-N-methylbutan-1-amine;hydrochloride
CID 69398314
[1-(3,4-dichlorophenyl)cyclobutyl]methyl-pentylazanium
CID 144796627
N-[[1-(3,4-dichlorophenyl)cyclopentyl]methyl]propan-1-amine
CID 63511575
trans-(1S,3R)-3-(3,4-dichlorophenyl)-1-methyl-3-(methylaminomethyl)cyclohexan-1-ol
CID 122473356
N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methylpentan-1-amine
CID 123183456
2-amino-1-[2-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]ethanone
CID 157198296
4-amino-4-[1-(3,4-dichlorophenyl)cyclobutyl]butan-1-ol;hydrochloride
CID 19823772
2-chloro-N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]acetamide
CID 13279949

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,4-dichlorophenyl)cyclobutyl]butan-1-amine;hydrochloride?
The IUPAC name of 4-[1-(3,4-dichlorophenyl)cyclobutyl]butan-1-amine;hydrochloride (CID 69397009) is 4-[1-(3,4-dichlorophenyl)cyclobutyl]butan-1-amine;hydrochloride.
What is the SMILES notation for 4-[1-(3,4-dichlorophenyl)cyclobutyl]butan-1-amine;hydrochloride?
The canonical SMILES for 4-[1-(3,4-dichlorophenyl)cyclobutyl]butan-1-amine;hydrochloride is Cl.NCCCCC1(c2ccc(Cl)c(Cl)c2)CCC1.
What is the InChIKey of 4-[1-(3,4-dichlorophenyl)cyclobutyl]butan-1-amine;hydrochloride?
The InChIKey is CGQBOSONMSTWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N.ClH/c15-12-5-4-11(10-13(12)16)14(7-3-8-14)6-1-2-9-17;/h4-5,10H,1-3,6-9,17H2;1H.
What are the key properties of 4-[1-(3,4-dichlorophenyl)cyclobutyl]butan-1-amine;hydrochloride?
4-[1-(3,4-dichlorophenyl)cyclobutyl]butan-1-amine;hydrochloride has a molecular weight of 308.68 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,4-dichlorophenyl)cyclobutyl]butan-1-amine;hydrochloride is sourced from PubChem (CID 69397009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).