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

C16H17ClN2 — CID 103443956

IUPAC(3-chloro-2-pyridinyl)-(3-cyclobutylphenyl)methanamine
SMILESNC(c1cccc(C2CCC2)c1)c1ncccc1Cl
InChIInChI=1S/C16H17ClN2/c17-14-8-3-9-19-16(14)15(18)13-7-2-6-12(10-13)11-4-1-5-11/h2-3,6-11,15H,1,4-5,18H2
InChIKeyDIFLZNSOEQXKFZ-UHFFFAOYSA-N
MW272.78 g/mol
LogP4.05
Rot. Bonds3

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

(3-chloro-2-pyridinyl)-(3-cyclobutylphenyl)methanamine (PubChem CID 103443956) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is (3-chloro-2-pyridinyl)-(3-cyclobutylphenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-2-pyridinyl)-(3-cyclobutylphenyl)methanamine
PubChem CID103443956
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name(3-chloro-2-pyridinyl)-(3-cyclobutylphenyl)methanamine
SMILESNC(c1cccc(C2CCC2)c1)c1ncccc1Cl
InChIInChI=1S/C16H17ClN2/c17-14-8-3-9-19-16(14)15(18)13-7-2-6-12(10-13)11-4-1-5-11/h2-3,6-11,15H,1,4-5,18H2
InChIKeyDIFLZNSOEQXKFZ-UHFFFAOYSA-N
XLogP4.05
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-cyclobutylphenyl)-(3-methyl-2-pyridinyl)methanamine
CID 114602823
(3-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methanamine
CID 114604283
(4-chloro-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
CID 105053710
(3-cyclobutylphenyl)-pyrimidin-5-ylmethanamine
CID 102923950
(3-cyclobutylphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 114603326
(3-cyclobutylphenyl)-thiophen-3-ylmethanamine
CID 114602570
2-(2-chlorophenyl)-1-(3-cyclobutylphenyl)ethanamine
CID 114602829
(3-cyclopropylphenyl)-phenylmethanamine;hydrochloride
CID 170919041
(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methanamine
CID 116506384
(3-cyclobutylphenyl)-(4-methoxyphenyl)methanamine
CID 114602513
(4-bromo-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
CID 105053825
1-(3-cyclobutylphenyl)-2,2-dimethylpropan-1-amine
CID 114602608

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-pyridinyl)-(3-cyclobutylphenyl)methanamine?
The IUPAC name of (3-chloro-2-pyridinyl)-(3-cyclobutylphenyl)methanamine (CID 103443956) is (3-chloro-2-pyridinyl)-(3-cyclobutylphenyl)methanamine.
What is the SMILES notation for (3-chloro-2-pyridinyl)-(3-cyclobutylphenyl)methanamine?
The canonical SMILES for (3-chloro-2-pyridinyl)-(3-cyclobutylphenyl)methanamine is NC(c1cccc(C2CCC2)c1)c1ncccc1Cl.
What is the InChIKey of (3-chloro-2-pyridinyl)-(3-cyclobutylphenyl)methanamine?
The InChIKey is DIFLZNSOEQXKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2/c17-14-8-3-9-19-16(14)15(18)13-7-2-6-12(10-13)11-4-1-5-11/h2-3,6-11,15H,1,4-5,18H2.
What are the key properties of (3-chloro-2-pyridinyl)-(3-cyclobutylphenyl)methanamine?
(3-chloro-2-pyridinyl)-(3-cyclobutylphenyl)methanamine has a molecular weight of 272.78 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-pyridinyl)-(3-cyclobutylphenyl)methanamine is sourced from PubChem (CID 103443956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).