(2-cyclobutylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine

C18H22N2 — CID 107503001

IUPAC(2-cyclobutylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine
SMILESCc1cc(C(N)c2ccccc2C2CCC2)cc(C)n1
InChIInChI=1S/C18H22N2/c1-12-10-15(11-13(2)20-12)18(19)17-9-4-3-8-16(17)14-6-5-7-14/h3-4,8-11,14,18H,5-7,19H2,1-2H3
InChIKeyAJPXNEVPUYPXDS-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.01
Rot. Bonds3

About (2-cyclobutylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine

(2-cyclobutylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine (PubChem CID 107503001) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is (2-cyclobutylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine.

Molecular Properties

Compound Name(2-cyclobutylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine
PubChem CID107503001
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name(2-cyclobutylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine
SMILESCc1cc(C(N)c2ccccc2C2CCC2)cc(C)n1
InChIInChI=1S/C18H22N2/c1-12-10-15(11-13(2)20-12)18(19)17-9-4-3-8-16(17)14-6-5-7-14/h3-4,8-11,14,18H,5-7,19H2,1-2H3
InChIKeyAJPXNEVPUYPXDS-UHFFFAOYSA-N
XLogP4.01
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-cyclobutylphenyl)-(4-methylphenyl)methanamine
CID 114602558
(2-cyclobutylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 114602556
(2-cyclobutylphenyl)-pyridin-4-ylmethanamine
CID 114602569
(2-cyclobutylphenyl)-(2-fluoro-4-methylphenyl)methanamine
CID 105052284
(2-cyclobutylphenyl)-(4-methylthiophen-3-yl)methanamine
CID 114604077
(2-cyclobutylphenyl)-(2-methoxy-4-methylphenyl)methanamine
CID 106791150
(2-cyclobutylphenyl)-(2,4-dibromophenyl)methanamine
CID 107946938
(2-cyclobutylphenyl)-cyclopropylmethanamine
CID 114602603
(2-cyclobutylphenyl)-(1-methylcyclopropyl)methanamine
CID 114604111
(2,6-dimethyl-4-pyridinyl)-(2-propan-2-yloxyphenyl)methanamine
CID 107503067
(4-bromo-2,6-difluorophenyl)-(2-cyclobutylphenyl)methanamine
CID 105052438
(2-cyclobutylphenyl)-(1,3-thiazol-4-yl)methanamine
CID 114604148

Frequently Asked Questions

What is the IUPAC name of (2-cyclobutylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine?
The IUPAC name of (2-cyclobutylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine (CID 107503001) is (2-cyclobutylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine.
What is the SMILES notation for (2-cyclobutylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine?
The canonical SMILES for (2-cyclobutylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine is Cc1cc(C(N)c2ccccc2C2CCC2)cc(C)n1.
What is the InChIKey of (2-cyclobutylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine?
The InChIKey is AJPXNEVPUYPXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-12-10-15(11-13(2)20-12)18(19)17-9-4-3-8-16(17)14-6-5-7-14/h3-4,8-11,14,18H,5-7,19H2,1-2H3.
What are the key properties of (2-cyclobutylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine?
(2-cyclobutylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine has a molecular weight of 266.39 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine is sourced from PubChem (CID 107503001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).