(3-cyclobutylphenyl)-(3-methyl-2-pyridinyl)methanamine

C17H20N2 — CID 114602823

IUPAC(3-cyclobutylphenyl)-(3-methyl-2-pyridinyl)methanamine
SMILESCc1cccnc1C(N)c1cccc(C2CCC2)c1
InChIInChI=1S/C17H20N2/c1-12-5-4-10-19-17(12)16(18)15-9-3-8-14(11-15)13-6-2-7-13/h3-5,8-11,13,16H,2,6-7,18H2,1H3
InChIKeyOAKCWUKTIXSIBJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.71
Rot. Bonds3

About (3-cyclobutylphenyl)-(3-methyl-2-pyridinyl)methanamine

(3-cyclobutylphenyl)-(3-methyl-2-pyridinyl)methanamine (PubChem CID 114602823) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (3-cyclobutylphenyl)-(3-methyl-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(3-cyclobutylphenyl)-(3-methyl-2-pyridinyl)methanamine
PubChem CID114602823
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name(3-cyclobutylphenyl)-(3-methyl-2-pyridinyl)methanamine
SMILESCc1cccnc1C(N)c1cccc(C2CCC2)c1
InChIInChI=1S/C17H20N2/c1-12-5-4-10-19-17(12)16(18)15-9-3-8-14(11-15)13-6-2-7-13/h3-5,8-11,13,16H,2,6-7,18H2,1H3
InChIKeyOAKCWUKTIXSIBJ-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

(3-chloro-2-pyridinyl)-(3-cyclobutylphenyl)methanamine
CID 103443956
(3-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methanamine
CID 114604283
(4-bromo-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
CID 105053825
(4-chloro-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
CID 105053710
(3-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 105053790
(3-cyclobutylphenyl)-pyrimidin-5-ylmethanamine
CID 102923950
1-(3-cyclobutylphenyl)-2,2-dimethylpropan-1-amine
CID 114602608
(3-cyclobutylphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 114603326
(3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanamine
CID 114604613
(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methanamine
CID 116506384
(3-cyclobutylphenyl)-(4-methoxyphenyl)methanamine
CID 114602513
(4-cyclobutylphenyl)-(3-ethyl-2-pyridinyl)methanamine
CID 116506425

Frequently Asked Questions

What is the IUPAC name of (3-cyclobutylphenyl)-(3-methyl-2-pyridinyl)methanamine?
The IUPAC name of (3-cyclobutylphenyl)-(3-methyl-2-pyridinyl)methanamine (CID 114602823) is (3-cyclobutylphenyl)-(3-methyl-2-pyridinyl)methanamine.
What is the SMILES notation for (3-cyclobutylphenyl)-(3-methyl-2-pyridinyl)methanamine?
The canonical SMILES for (3-cyclobutylphenyl)-(3-methyl-2-pyridinyl)methanamine is Cc1cccnc1C(N)c1cccc(C2CCC2)c1.
What is the InChIKey of (3-cyclobutylphenyl)-(3-methyl-2-pyridinyl)methanamine?
The InChIKey is OAKCWUKTIXSIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-12-5-4-10-19-17(12)16(18)15-9-3-8-14(11-15)13-6-2-7-13/h3-5,8-11,13,16H,2,6-7,18H2,1H3.
What are the key properties of (3-cyclobutylphenyl)-(3-methyl-2-pyridinyl)methanamine?
(3-cyclobutylphenyl)-(3-methyl-2-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 (3-cyclobutylphenyl)-(3-methyl-2-pyridinyl)methanamine is sourced from PubChem (CID 114602823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).