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

C18H22N2O — CID 114698616

IUPAC3-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]cyclobutan-1-amine
SMILESCOc1ccc(C2CC(NCc3ccncc3C)C2)cc1
InChIInChI=1S/C18H22N2O/c1-13-11-19-8-7-15(13)12-20-17-9-16(10-17)14-3-5-18(21-2)6-4-14/h3-8,11,16-17,20H,9-10,12H2,1-2H3
InChIKeyXGKAAAGUNSESGS-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.43
Rot. Bonds5

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

3-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]cyclobutan-1-amine (PubChem CID 114698616) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]cyclobutan-1-amine
PubChem CID114698616
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]cyclobutan-1-amine
SMILESCOc1ccc(C2CC(NCc3ccncc3C)C2)cc1
InChIInChI=1S/C18H22N2O/c1-13-11-19-8-7-15(13)12-20-17-9-16(10-17)14-3-5-18(21-2)6-4-14/h3-8,11,16-17,20H,9-10,12H2,1-2H3
InChIKeyXGKAAAGUNSESGS-UHFFFAOYSA-N
XLogP3.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclobutan-1-amine
CID 114955168
(7S,8R)-8-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]bicyclo[4.2.0]octan-7-amine
CID 110216273
N-[(3-methyl-4-pyridinyl)methyl]-4-phenylcyclohexan-1-amine
CID 114698974
3-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine
CID 61282176
3-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentan-1-amine
CID 114699208
3-(4-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)cyclobutan-1-amine
CID 61285030
1-cyclopropyl-1-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
CID 114698985
N-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448832
3-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine
CID 82882728
N'-[3-(4-methoxyphenyl)cyclobutyl]propane-1,3-diamine
CID 60887983
1-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-2-ol
CID 43635449
3-(4-methoxyphenyl)-N-octylcyclobutan-1-amine
CID 115566490

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]cyclobutan-1-amine (CID 114698616) is 3-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]cyclobutan-1-amine is COc1ccc(C2CC(NCc3ccncc3C)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]cyclobutan-1-amine?
The InChIKey is XGKAAAGUNSESGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-11-19-8-7-15(13)12-20-17-9-16(10-17)14-3-5-18(21-2)6-4-14/h3-8,11,16-17,20H,9-10,12H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]cyclobutan-1-amine?
3-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]cyclobutan-1-amine has a molecular weight of 282.39 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 114698616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).