3-(4-methylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclobutan-1-amine

C18H22N2 — CID 114955168

IUPAC3-(4-methylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclobutan-1-amine
SMILESCc1ccc(C2CC(NCc3cnccc3C)C2)cc1
InChIInChI=1S/C18H22N2/c1-13-3-5-15(6-4-13)16-9-18(10-16)20-12-17-11-19-8-7-14(17)2/h3-8,11,16,18,20H,9-10,12H2,1-2H3
InChIKeyIABPJFFYWOBKOY-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.73
Rot. Bonds4

About 3-(4-methylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclobutan-1-amine

3-(4-methylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclobutan-1-amine (PubChem CID 114955168) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclobutan-1-amine
PubChem CID114955168
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name3-(4-methylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclobutan-1-amine
SMILESCc1ccc(C2CC(NCc3cnccc3C)C2)cc1
InChIInChI=1S/C18H22N2/c1-13-3-5-15(6-4-13)16-9-18(10-16)20-12-17-11-19-8-7-14(17)2/h3-8,11,16,18,20H,9-10,12H2,1-2H3
InChIKeyIABPJFFYWOBKOY-UHFFFAOYSA-N
XLogP3.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]cyclobutan-1-amine
CID 114698616
3-methyl-N-[(4-methyl-3-pyridinyl)methyl]cyclopentan-1-amine
CID 114544009
N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633160
N-[(2-bromophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine
CID 63454059
3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine
CID 62997224
3-(4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclobutan-1-amine
CID 61016617
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine
CID 103096808
3-(4-methylphenyl)-N-(pyridazin-3-ylmethyl)cyclobutan-1-amine
CID 106895177
N-[3-(4-methylphenyl)cyclobutyl]pyridin-3-amine
CID 43632728
2-cyclohexyl-N-[(4-methyl-3-pyridinyl)methyl]cyclohexan-1-amine
CID 114954883
N-butyl-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633076
3-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-4-amine
CID 81249862

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-methylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclobutan-1-amine (CID 114955168) is 3-(4-methylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-methylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-methylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclobutan-1-amine is Cc1ccc(C2CC(NCc3cnccc3C)C2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclobutan-1-amine?
The InChIKey is IABPJFFYWOBKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-13-3-5-15(6-4-13)16-9-18(10-16)20-12-17-11-19-8-7-14(17)2/h3-8,11,16,18,20H,9-10,12H2,1-2H3.
What are the key properties of 3-(4-methylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclobutan-1-amine?
3-(4-methylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclobutan-1-amine has a molecular weight of 266.39 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 114955168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).