1-(4-bromophenyl)-1-(2-cyclobutylphenyl)-N-methylmethanamine

C18H20BrN — CID 114602530

IUPAC1-(4-bromophenyl)-1-(2-cyclobutylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1)c1ccccc1C1CCC1
InChIInChI=1S/C18H20BrN/c1-20-18(14-9-11-15(19)12-10-14)17-8-3-2-7-16(17)13-5-4-6-13/h2-3,7-13,18,20H,4-6H2,1H3
InChIKeyFBQCVGDJIURHAR-UHFFFAOYSA-N
MW330.27 g/mol
LogP5.03
Rot. Bonds4

About 1-(4-bromophenyl)-1-(2-cyclobutylphenyl)-N-methylmethanamine

1-(4-bromophenyl)-1-(2-cyclobutylphenyl)-N-methylmethanamine (PubChem CID 114602530) has the molecular formula C18H20BrN and a molecular weight of 330.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-(2-cyclobutylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-(2-cyclobutylphenyl)-N-methylmethanamine
PubChem CID114602530
Molecular FormulaC18H20BrN
Molecular Weight330.27 g/mol
Exact Mass329.08
IUPAC Name1-(4-bromophenyl)-1-(2-cyclobutylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1)c1ccccc1C1CCC1
InChIInChI=1S/C18H20BrN/c1-20-18(14-9-11-15(19)12-10-14)17-8-3-2-7-16(17)13-5-4-6-13/h2-3,7-13,18,20H,4-6H2,1H3
InChIKeyFBQCVGDJIURHAR-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.27
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-cyclobutylphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 105188892
1-(2-cyclobutylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 114602710
1-(3-bromothiophen-2-yl)-1-(2-cyclobutylphenyl)-N-methylmethanamine
CID 105052155
1-(2-cyclobutylphenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 105052188
1-(2-cyclobutylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 114602722
1-(2-cyclobutylphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine
CID 105188804
1-(2-cyclobutylphenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 114604500
1-(2-cyclobutylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 114602735
1-(2-cyclobutylphenyl)-N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 114604437
1-(2-cyclobutylphenyl)-2-methoxy-N-methylpropan-1-amine
CID 114603918
[(5-bromo-2-pyridinyl)-(2-cyclobutylphenyl)methyl]hydrazine
CID 105267687
1-(4-cyclobutylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 105045096

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-(2-cyclobutylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromophenyl)-1-(2-cyclobutylphenyl)-N-methylmethanamine (CID 114602530) is 1-(4-bromophenyl)-1-(2-cyclobutylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-1-(2-cyclobutylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromophenyl)-1-(2-cyclobutylphenyl)-N-methylmethanamine is CNC(c1ccc(Br)cc1)c1ccccc1C1CCC1.
What is the InChIKey of 1-(4-bromophenyl)-1-(2-cyclobutylphenyl)-N-methylmethanamine?
The InChIKey is FBQCVGDJIURHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN/c1-20-18(14-9-11-15(19)12-10-14)17-8-3-2-7-16(17)13-5-4-6-13/h2-3,7-13,18,20H,4-6H2,1H3.
What are the key properties of 1-(4-bromophenyl)-1-(2-cyclobutylphenyl)-N-methylmethanamine?
1-(4-bromophenyl)-1-(2-cyclobutylphenyl)-N-methylmethanamine has a molecular weight of 330.27 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-(2-cyclobutylphenyl)-N-methylmethanamine is sourced from PubChem (CID 114602530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).