1-(3-cyclobutylphenyl)-N-methyl-2-(3-methylphenyl)ethanamine

C20H25N — CID 114602821

IUPAC1-(3-cyclobutylphenyl)-N-methyl-2-(3-methylphenyl)ethanamine
SMILESCNC(Cc1cccc(C)c1)c1cccc(C2CCC2)c1
InChIInChI=1S/C20H25N/c1-15-6-3-7-16(12-15)13-20(21-2)19-11-5-10-18(14-19)17-8-4-9-17/h3,5-7,10-12,14,17,20-21H,4,8-9,13H2,1-2H3
InChIKeyGHRYSGLDIWAACY-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.77
Rot. Bonds5

About 1-(3-cyclobutylphenyl)-N-methyl-2-(3-methylphenyl)ethanamine

1-(3-cyclobutylphenyl)-N-methyl-2-(3-methylphenyl)ethanamine (PubChem CID 114602821) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-N-methyl-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-N-methyl-2-(3-methylphenyl)ethanamine
PubChem CID114602821
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name1-(3-cyclobutylphenyl)-N-methyl-2-(3-methylphenyl)ethanamine
SMILESCNC(Cc1cccc(C)c1)c1cccc(C2CCC2)c1
InChIInChI=1S/C20H25N/c1-15-6-3-7-16(12-15)13-20(21-2)19-11-5-10-18(14-19)17-8-4-9-17/h3,5-7,10-12,14,17,20-21H,4,8-9,13H2,1-2H3
InChIKeyGHRYSGLDIWAACY-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-cyclobutylphenyl)-2-methoxy-N-methylethanamine
CID 114602794
1-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 60818684
1-(4-cyclobutylphenyl)-2-(3-methylphenyl)ethanol
CID 116505746
1-(3-cyclobutylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 114604522
1-(3-cyclobutylphenyl)propylhydrazine
CID 105200963
1-cyclobutyl-3-(2-methylpropyl)benzene
CID 169137072
[1-(3-cyclobutylphenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105212360
1-(3-cyclobutylphenyl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
CID 103149403
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine
CID 115559669
1-(3-cyclobutylphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 114602227
1-(3-cyclobutylphenyl)-1-(2-fluoro-4-methylphenyl)-N-methylmethanamine
CID 105053588
cyclobutylbenzene;ethane;1-ethyl-3-methylbenzene
CID 142052735

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-N-methyl-2-(3-methylphenyl)ethanamine?
The IUPAC name of 1-(3-cyclobutylphenyl)-N-methyl-2-(3-methylphenyl)ethanamine (CID 114602821) is 1-(3-cyclobutylphenyl)-N-methyl-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-N-methyl-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 1-(3-cyclobutylphenyl)-N-methyl-2-(3-methylphenyl)ethanamine is CNC(Cc1cccc(C)c1)c1cccc(C2CCC2)c1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-N-methyl-2-(3-methylphenyl)ethanamine?
The InChIKey is GHRYSGLDIWAACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-15-6-3-7-16(12-15)13-20(21-2)19-11-5-10-18(14-19)17-8-4-9-17/h3,5-7,10-12,14,17,20-21H,4,8-9,13H2,1-2H3.
What are the key properties of 1-(3-cyclobutylphenyl)-N-methyl-2-(3-methylphenyl)ethanamine?
1-(3-cyclobutylphenyl)-N-methyl-2-(3-methylphenyl)ethanamine has a molecular weight of 279.43 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-N-methyl-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 114602821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).