1-(4-cyclobutylphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine

C18H19Cl2N — CID 105045036

IUPAC1-(4-cyclobutylphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C2CCC2)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H19Cl2N/c1-21-18(15-9-16(19)11-17(20)10-15)14-7-5-13(6-8-14)12-3-2-4-12/h5-12,18,21H,2-4H2,1H3
InChIKeyOTUOWZUGUPDMHA-UHFFFAOYSA-N
MW320.26 g/mol
LogP5.57
Rot. Bonds4

About 1-(4-cyclobutylphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine

1-(4-cyclobutylphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine (PubChem CID 105045036) has the molecular formula C18H19Cl2N and a molecular weight of 320.26 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
PubChem CID105045036
Molecular FormulaC18H19Cl2N
Molecular Weight320.26 g/mol
Exact Mass319.09
IUPAC Name1-(4-cyclobutylphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C2CCC2)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H19Cl2N/c1-21-18(15-9-16(19)11-17(20)10-15)14-7-5-13(6-8-14)12-3-2-4-12/h5-12,18,21H,2-4H2,1H3
InChIKeyOTUOWZUGUPDMHA-UHFFFAOYSA-N
XLogP5.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.26
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(4-cyclobutylphenyl)-(3,5-dichlorophenyl)methyl]hydrazine
CID 105338167
1-(4-cyclobutylphenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 116506024
1-(4-cyclobutylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 116506091
1-(4-bromo-3-fluorophenyl)-1-(4-cyclobutylphenyl)-N-methylmethanamine
CID 105044859
1-(4-cyclobutylphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 105044965
1-(4-chloro-3-methylphenyl)-1-(3-cyclobutylphenyl)-N-methylmethanamine
CID 105053787
1-(4-cyclobutylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 105044978
1-(4-cyclobutylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 116505983
1-(4-cyclobutylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 105045096
1-(4-cyclohexylphenyl)-N,N'-dimethylmethanediamine
CID 116954314
1-(4-cyclobutylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
CID 105044930
(3-chloro-5-fluorophenyl)-(4-cyclobutylphenyl)methanol
CID 114454040

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-cyclobutylphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine (CID 105045036) is 1-(4-cyclobutylphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-cyclobutylphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine is CNC(c1ccc(C2CCC2)cc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine?
The InChIKey is OTUOWZUGUPDMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N/c1-21-18(15-9-16(19)11-17(20)10-15)14-7-5-13(6-8-14)12-3-2-4-12/h5-12,18,21H,2-4H2,1H3.
What are the key properties of 1-(4-cyclobutylphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine?
1-(4-cyclobutylphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine has a molecular weight of 320.26 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 105045036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).