(4-cyclobutylphenyl)-(4-methyl-3-pyridinyl)methanamine

C17H20N2 — CID 114877864

IUPAC(4-cyclobutylphenyl)-(4-methyl-3-pyridinyl)methanamine
SMILESCc1ccncc1C(N)c1ccc(C2CCC2)cc1
InChIInChI=1S/C17H20N2/c1-12-9-10-19-11-16(12)17(18)15-7-5-14(6-8-15)13-3-2-4-13/h5-11,13,17H,2-4,18H2,1H3
InChIKeyKHOALIKWVWEULI-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.71
Rot. Bonds3

About (4-cyclobutylphenyl)-(4-methyl-3-pyridinyl)methanamine

(4-cyclobutylphenyl)-(4-methyl-3-pyridinyl)methanamine (PubChem CID 114877864) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (4-cyclobutylphenyl)-(4-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(4-cyclobutylphenyl)-(4-methyl-3-pyridinyl)methanamine
PubChem CID114877864
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name(4-cyclobutylphenyl)-(4-methyl-3-pyridinyl)methanamine
SMILESCc1ccncc1C(N)c1ccc(C2CCC2)cc1
InChIInChI=1S/C17H20N2/c1-12-9-10-19-11-16(12)17(18)15-7-5-14(6-8-15)13-3-2-4-13/h5-11,13,17H,2-4,18H2,1H3
InChIKeyKHOALIKWVWEULI-UHFFFAOYSA-N
XLogP3.71
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-cyclobutylphenyl)-pyrazin-2-ylmethanamine
CID 116505926
(4-methyl-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine
CID 105006479
[(3-cyclobutylphenyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105279785
(4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanamine
CID 105044946
(4-cyclohexylphenyl)-(2-methylfuran-3-yl)methanamine
CID 43464305
(4-methyl-3-pyridinyl)-pyrimidin-2-ylmethanamine
CID 66273123
(4-cyclobutylphenyl)-(4-fluorophenyl)methanamine
CID 116505887
(4-cyclobutylphenyl)-(4-methoxyphenyl)methanamine
CID 116505877
[(4-cyclobutylphenyl)-(3-ethyl-4-pyridinyl)methyl]hydrazine
CID 105262266
(4-methyl-3-pyridinyl)-(3,4,5-trifluorophenyl)methanamine
CID 66272704
(2-cyclobutylphenyl)-pyridin-4-ylmethanamine
CID 114602569
(4-cyclobutylphenyl)-(3-ethyl-2-pyridinyl)methanamine
CID 116506425

Frequently Asked Questions

What is the IUPAC name of (4-cyclobutylphenyl)-(4-methyl-3-pyridinyl)methanamine?
The IUPAC name of (4-cyclobutylphenyl)-(4-methyl-3-pyridinyl)methanamine (CID 114877864) is (4-cyclobutylphenyl)-(4-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for (4-cyclobutylphenyl)-(4-methyl-3-pyridinyl)methanamine?
The canonical SMILES for (4-cyclobutylphenyl)-(4-methyl-3-pyridinyl)methanamine is Cc1ccncc1C(N)c1ccc(C2CCC2)cc1.
What is the InChIKey of (4-cyclobutylphenyl)-(4-methyl-3-pyridinyl)methanamine?
The InChIKey is KHOALIKWVWEULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-12-9-10-19-11-16(12)17(18)15-7-5-14(6-8-15)13-3-2-4-13/h5-11,13,17H,2-4,18H2,1H3.
What are the key properties of (4-cyclobutylphenyl)-(4-methyl-3-pyridinyl)methanamine?
(4-cyclobutylphenyl)-(4-methyl-3-pyridinyl)methanamine has a molecular weight of 252.36 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutylphenyl)-(4-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 114877864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).