1-(2,5-dichlorophenyl)-N-methyl-1-(1-phenylcyclobutyl)methanamine

C18H19Cl2N — CID 63417710

IUPAC1-(2,5-dichlorophenyl)-N-methyl-1-(1-phenylcyclobutyl)methanamine
SMILESCNC(c1cc(Cl)ccc1Cl)C1(c2ccccc2)CCC1
InChIInChI=1S/C18H19Cl2N/c1-21-17(15-12-14(19)8-9-16(15)20)18(10-5-11-18)13-6-3-2-4-7-13/h2-4,6-9,12,17,21H,5,10-11H2,1H3
InChIKeyOEODUEXXNBHPMP-UHFFFAOYSA-N
MW320.26 g/mol
LogP5.38
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-N-methyl-1-(1-phenylcyclobutyl)methanamine

1-(2,5-dichlorophenyl)-N-methyl-1-(1-phenylcyclobutyl)methanamine (PubChem CID 63417710) has the molecular formula C18H19Cl2N and a molecular weight of 320.26 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-N-methyl-1-(1-phenylcyclobutyl)methanamine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-N-methyl-1-(1-phenylcyclobutyl)methanamine
PubChem CID63417710
Molecular FormulaC18H19Cl2N
Molecular Weight320.26 g/mol
Exact Mass319.09
IUPAC Name1-(2,5-dichlorophenyl)-N-methyl-1-(1-phenylcyclobutyl)methanamine
SMILESCNC(c1cc(Cl)ccc1Cl)C1(c2ccccc2)CCC1
InChIInChI=1S/C18H19Cl2N/c1-21-17(15-12-14(19)8-9-16(15)20)18(10-5-11-18)13-6-3-2-4-7-13/h2-4,6-9,12,17,21H,5,10-11H2,1H3
InChIKeyOEODUEXXNBHPMP-UHFFFAOYSA-N
XLogP5.38
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 ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2,5-dichlorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066890
2-(2,5-dichlorophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine
CID 65321924
[(2,5-dichlorophenyl)-(1-methylcyclopropyl)methyl]hydrazine
CID 105253423
1-(2-methoxyphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
CID 63078449
1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
CID 82803625
1-(2,5-dimethylthiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
CID 55129402
[(2,5-dichlorophenyl)-(1-methoxycyclopentyl)methyl]hydrazine
CID 105268736
[(2,5-dichlorophenyl)-(1-ethylcyclopentyl)methyl]hydrazine
CID 105302035
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
CID 79747261
N-methyl-1-(3-methylphenyl)-1-(1-phenylcyclopentyl)methanamine
CID 63417580
N-methyl-1-(1-phenylcyclobutyl)-1-thiophen-3-ylmethanamine
CID 65105093
1-(4-bromothiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
CID 79596313

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-N-methyl-1-(1-phenylcyclobutyl)methanamine?
The IUPAC name of 1-(2,5-dichlorophenyl)-N-methyl-1-(1-phenylcyclobutyl)methanamine (CID 63417710) is 1-(2,5-dichlorophenyl)-N-methyl-1-(1-phenylcyclobutyl)methanamine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-N-methyl-1-(1-phenylcyclobutyl)methanamine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-N-methyl-1-(1-phenylcyclobutyl)methanamine is CNC(c1cc(Cl)ccc1Cl)C1(c2ccccc2)CCC1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-N-methyl-1-(1-phenylcyclobutyl)methanamine?
The InChIKey is OEODUEXXNBHPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N/c1-21-17(15-12-14(19)8-9-16(15)20)18(10-5-11-18)13-6-3-2-4-7-13/h2-4,6-9,12,17,21H,5,10-11H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-N-methyl-1-(1-phenylcyclobutyl)methanamine?
1-(2,5-dichlorophenyl)-N-methyl-1-(1-phenylcyclobutyl)methanamine has a molecular weight of 320.26 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-N-methyl-1-(1-phenylcyclobutyl)methanamine is sourced from PubChem (CID 63417710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).