(4-cyclobutylphenyl)-(3-ethyl-2-pyridinyl)methanamine

C18H22N2 — CID 116506425

IUPAC(4-cyclobutylphenyl)-(3-ethyl-2-pyridinyl)methanamine
SMILESCCc1cccnc1C(N)c1ccc(C2CCC2)cc1
InChIInChI=1S/C18H22N2/c1-2-13-7-4-12-20-18(13)17(19)16-10-8-15(9-11-16)14-5-3-6-14/h4,7-12,14,17H,2-3,5-6,19H2,1H3
InChIKeyJEKSCHHDGXRCDB-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.96
Rot. Bonds4

About (4-cyclobutylphenyl)-(3-ethyl-2-pyridinyl)methanamine

(4-cyclobutylphenyl)-(3-ethyl-2-pyridinyl)methanamine (PubChem CID 116506425) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is (4-cyclobutylphenyl)-(3-ethyl-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(4-cyclobutylphenyl)-(3-ethyl-2-pyridinyl)methanamine
PubChem CID116506425
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name(4-cyclobutylphenyl)-(3-ethyl-2-pyridinyl)methanamine
SMILESCCc1cccnc1C(N)c1ccc(C2CCC2)cc1
InChIInChI=1S/C18H22N2/c1-2-13-7-4-12-20-18(13)17(19)16-10-8-15(9-11-16)14-5-3-6-14/h4,7-12,14,17H,2-3,5-6,19H2,1H3
InChIKeyJEKSCHHDGXRCDB-UHFFFAOYSA-N
XLogP3.96
TPSA38.91 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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(4-cyclobutylphenyl)-(3-ethyl-2-pyridinyl)methyl]hydrazine
CID 105263897
(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methanamine
CID 116506384
(2-cyclobutylphenyl)-(3-ethyl-2-pyridinyl)methanamine
CID 114604475
N-[(3-chloro-2-pyridinyl)-(4-cyclobutylphenyl)methyl]ethanamine
CID 103444478
(3-cyclobutylphenyl)-(3-methyl-2-pyridinyl)methanamine
CID 114602823
2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-2-pyridinyl)methanamine
CID 82730296
N-[(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methyl]ethanamine
CID 116506386
[(4-cyclobutylphenyl)-(2-ethylphenyl)methyl]hydrazine
CID 105338218
(3-chloro-2-pyridinyl)-(3-cyclobutylphenyl)methanamine
CID 103443956
(3-ethoxyphenyl)-(3-ethyl-2-pyridinyl)methanamine
CID 82729975
3-[(4-cyclobutylphenyl)methyl]pyridin-2-amine
CID 116506701
(3-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methanamine
CID 114604283

Frequently Asked Questions

What is the IUPAC name of (4-cyclobutylphenyl)-(3-ethyl-2-pyridinyl)methanamine?
The IUPAC name of (4-cyclobutylphenyl)-(3-ethyl-2-pyridinyl)methanamine (CID 116506425) is (4-cyclobutylphenyl)-(3-ethyl-2-pyridinyl)methanamine.
What is the SMILES notation for (4-cyclobutylphenyl)-(3-ethyl-2-pyridinyl)methanamine?
The canonical SMILES for (4-cyclobutylphenyl)-(3-ethyl-2-pyridinyl)methanamine is CCc1cccnc1C(N)c1ccc(C2CCC2)cc1.
What is the InChIKey of (4-cyclobutylphenyl)-(3-ethyl-2-pyridinyl)methanamine?
The InChIKey is JEKSCHHDGXRCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-2-13-7-4-12-20-18(13)17(19)16-10-8-15(9-11-16)14-5-3-6-14/h4,7-12,14,17H,2-3,5-6,19H2,1H3.
What are the key properties of (4-cyclobutylphenyl)-(3-ethyl-2-pyridinyl)methanamine?
(4-cyclobutylphenyl)-(3-ethyl-2-pyridinyl)methanamine has a molecular weight of 266.39 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutylphenyl)-(3-ethyl-2-pyridinyl)methanamine is sourced from PubChem (CID 116506425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).