2-cyclobutyl-1-(3,4-dichlorophenyl)-N-methylethanamine

C13H17Cl2N — CID 81491759

IUPAC2-cyclobutyl-1-(3,4-dichlorophenyl)-N-methylethanamine
SMILESCNC(CC1CCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2N/c1-16-13(7-9-3-2-4-9)10-5-6-11(14)12(15)8-10/h5-6,8-9,13,16H,2-4,7H2,1H3
InChIKeyQCIKNAKQKOCODR-UHFFFAOYSA-N
MW258.19 g/mol
LogP4.44
Rot. Bonds4

About 2-cyclobutyl-1-(3,4-dichlorophenyl)-N-methylethanamine

2-cyclobutyl-1-(3,4-dichlorophenyl)-N-methylethanamine (PubChem CID 81491759) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is 2-cyclobutyl-1-(3,4-dichlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-cyclobutyl-1-(3,4-dichlorophenyl)-N-methylethanamine
PubChem CID81491759
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC Name2-cyclobutyl-1-(3,4-dichlorophenyl)-N-methylethanamine
SMILESCNC(CC1CCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2N/c1-16-13(7-9-3-2-4-9)10-5-6-11(14)12(15)8-10/h5-6,8-9,13,16H,2-4,7H2,1H3
InChIKeyQCIKNAKQKOCODR-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-iodophenyl)-2-cyclobutyl-N-methylethanamine
CID 103215395
1-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-methylethanamine
CID 115842241
1-(3-chloro-4-iodophenyl)-2-cyclopropyl-N-methylethanamine
CID 103215428
2-cyclobutyl-1-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115863683
[1-(3-chloro-4-methylphenyl)-2-cyclobutylethyl]hydrazine
CID 105310083
1-(3,4-dichlorophenyl)-N-ethyl-2-(thian-4-yl)ethanamine
CID 105077128
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
2-cyclobutyl-1-(3,4-diethoxyphenyl)-N-methylethanamine
CID 115863730
1-(4-cyclobutylphenyl)-2-cyclopentyl-N-methylethanamine
CID 105045068
1-(3,4-dichlorophenyl)-N,N'-dimethylethane-1,2-diamine
CID 116947987
2-cycloheptyl-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 114457518
2-cyclopentyl-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 62601380

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(3,4-dichlorophenyl)-N-methylethanamine?
The IUPAC name of 2-cyclobutyl-1-(3,4-dichlorophenyl)-N-methylethanamine (CID 81491759) is 2-cyclobutyl-1-(3,4-dichlorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-cyclobutyl-1-(3,4-dichlorophenyl)-N-methylethanamine?
The canonical SMILES for 2-cyclobutyl-1-(3,4-dichlorophenyl)-N-methylethanamine is CNC(CC1CCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-cyclobutyl-1-(3,4-dichlorophenyl)-N-methylethanamine?
The InChIKey is QCIKNAKQKOCODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c1-16-13(7-9-3-2-4-9)10-5-6-11(14)12(15)8-10/h5-6,8-9,13,16H,2-4,7H2,1H3.
What are the key properties of 2-cyclobutyl-1-(3,4-dichlorophenyl)-N-methylethanamine?
2-cyclobutyl-1-(3,4-dichlorophenyl)-N-methylethanamine has a molecular weight of 258.19 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(3,4-dichlorophenyl)-N-methylethanamine is sourced from PubChem (CID 81491759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).