N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methylcyclohexanamine

C18H25Cl2N — CID 23292612

IUPACN-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methylcyclohexanamine
SMILESCN(CC1(c2ccc(Cl)c(Cl)c2)CCC1)C1CCCCC1
InChIInChI=1S/C18H25Cl2N/c1-21(15-6-3-2-4-7-15)13-18(10-5-11-18)14-8-9-16(19)17(20)12-14/h8-9,12,15H,2-7,10-11,13H2,1H3
InChIKeyWUUSKZKUWXQIOM-UHFFFAOYSA-N
MW326.31 g/mol
LogP5.68
Rot. Bonds4

About N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methylcyclohexanamine

N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methylcyclohexanamine (PubChem CID 23292612) has the molecular formula C18H25Cl2N and a molecular weight of 326.31 g/mol. Its IUPAC name is N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methylcyclohexanamine
PubChem CID23292612
Molecular FormulaC18H25Cl2N
Molecular Weight326.31 g/mol
Exact Mass325.14
IUPAC NameN-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methylcyclohexanamine
SMILESCN(CC1(c2ccc(Cl)c(Cl)c2)CCC1)C1CCCCC1
InChIInChI=1S/C18H25Cl2N/c1-21(15-6-3-2-4-7-15)13-18(10-5-11-18)14-8-9-16(19)17(20)12-14/h8-9,12,15H,2-7,10-11,13H2,1H3
InChIKeyWUUSKZKUWXQIOM-UHFFFAOYSA-N
XLogP5.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.31
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-N-methylcyclopentanamine
CID 23292614
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-N-methylcyclopentanamine;hydrochloride
CID 23292613
1-[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]-N,N-dimethylmethanamine
CID 68673889
N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methylpentan-1-amine
CID 123183456
cis-(1R,3S)-3-(3,4-dichlorophenyl)-3-[(dimethylamino)methyl]cyclohexan-1-ol;cis-(1S,3R)-3-(3,4-dichlorophenyl)-3-[(dimethylamino)methyl]cyclohexan-1-ol
CID 157186066
1-[1-(3,4-dichlorophenyl)-3,3-difluorocyclohexyl]-N,N-dimethylmethanamine
CID 68674928
1-[1-(3,4-dichlorophenyl)-4,4-difluorocyclohexyl]-N,N-dimethylmethanamine
CID 69329467
trans-(1S,2R)-2-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol
CID 58954805
1-[(1R,2S)-1-(3,4-dichlorophenyl)-2-methylcyclohexyl]-N,N-dimethylmethanamine
CID 58954957
N-[(3,4-dichlorophenyl)methyl]-N-methylcyclopentanamine
CID 90686398
N-[[1-(3,4-dichlorophenyl)cyclopentyl]methyl]propan-1-amine
CID 63511575
1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylmethanamine
CID 169436266

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methylcyclohexanamine?
The IUPAC name of N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methylcyclohexanamine (CID 23292612) is N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methylcyclohexanamine.
What is the SMILES notation for N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methylcyclohexanamine?
The canonical SMILES for N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methylcyclohexanamine is CN(CC1(c2ccc(Cl)c(Cl)c2)CCC1)C1CCCCC1.
What is the InChIKey of N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methylcyclohexanamine?
The InChIKey is WUUSKZKUWXQIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25Cl2N/c1-21(15-6-3-2-4-7-15)13-18(10-5-11-18)14-8-9-16(19)17(20)12-14/h8-9,12,15H,2-7,10-11,13H2,1H3.
What are the key properties of N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methylcyclohexanamine?
N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methylcyclohexanamine has a molecular weight of 326.31 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methylcyclohexanamine is sourced from PubChem (CID 23292612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).