3-(4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine

C20H25N — CID 62313715

IUPAC3-(4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine
SMILESCc1ccc(C2CC(NCCc3cccc(C)c3)C2)cc1
InChIInChI=1S/C20H25N/c1-15-6-8-18(9-7-15)19-13-20(14-19)21-11-10-17-5-3-4-16(2)12-17/h3-9,12,19-21H,10-11,13-14H2,1-2H3
InChIKeyOZPMDNIXHXTUBO-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.38
Rot. Bonds5

About 3-(4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine

3-(4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine (PubChem CID 62313715) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine
PubChem CID62313715
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name3-(4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine
SMILESCc1ccc(C2CC(NCCc3cccc(C)c3)C2)cc1
InChIInChI=1S/C20H25N/c1-15-6-8-18(9-7-15)19-13-20(14-19)21-11-10-17-5-3-4-16(2)12-17/h3-9,12,19-21H,10-11,13-14H2,1-2H3
InChIKeyOZPMDNIXHXTUBO-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 104859744
N-[(3-methylphenyl)methyl]-3-phenylcyclobutan-1-amine
CID 43632228
3-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634406
3-(3-methylphenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634409
3-methyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 64500281
4-methyl-N-[2-(3-methylphenyl)ethyl]cyclohexan-1-amine
CID 62313168
N-[2-(3-methylphenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 63476591
N-butyl-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633076
3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 80705858
1-[4-[2-(3-methylphenyl)ethylamino]piperidin-1-yl]ethanone
CID 55062758
N-(3-methylbutyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633229
N-[2-(3-methylphenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091130

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine (CID 62313715) is 3-(4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine is Cc1ccc(C2CC(NCCc3cccc(C)c3)C2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine?
The InChIKey is OZPMDNIXHXTUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-15-6-8-18(9-7-15)19-13-20(14-19)21-11-10-17-5-3-4-16(2)12-17/h3-9,12,19-21H,10-11,13-14H2,1-2H3.
What are the key properties of 3-(4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine?
3-(4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 62313715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).