(2-benzyl-4-methyl-3-pyridinyl)methanamine;dihydrochloride

C14H18Cl2N2 — CID 141454292

IUPAC(2-benzyl-4-methyl-3-pyridinyl)methanamine;dihydrochloride
SMILESCc1ccnc(Cc2ccccc2)c1CN.Cl.Cl
InChIInChI=1S/C14H16N2.2ClH/c1-11-7-8-16-14(13(11)10-15)9-12-5-3-2-4-6-12;;/h2-8H,9-10,15H2,1H3;2*1H
InChIKeyQWOBOBGEWNXYHE-UHFFFAOYSA-N
MW285.22 g/mol
LogP3.28
Rot. Bonds3

About (2-benzyl-4-methyl-3-pyridinyl)methanamine;dihydrochloride

(2-benzyl-4-methyl-3-pyridinyl)methanamine;dihydrochloride (PubChem CID 141454292) has the molecular formula C14H18Cl2N2 and a molecular weight of 285.22 g/mol. Its IUPAC name is (2-benzyl-4-methyl-3-pyridinyl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(2-benzyl-4-methyl-3-pyridinyl)methanamine;dihydrochloride
PubChem CID141454292
Molecular FormulaC14H18Cl2N2
Molecular Weight285.22 g/mol
Exact Mass284.08
IUPAC Name(2-benzyl-4-methyl-3-pyridinyl)methanamine;dihydrochloride
SMILESCc1ccnc(Cc2ccccc2)c1CN.Cl.Cl
InChIInChI=1S/C14H16N2.2ClH/c1-11-7-8-16-14(13(11)10-15)9-12-5-3-2-4-6-12;;/h2-8H,9-10,15H2,1H3;2*1H
InChIKeyQWOBOBGEWNXYHE-UHFFFAOYSA-N
XLogP3.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-(2-phenylethyl)pyridin-3-amine
CID 158413024
(2-methoxy-4-methyl-3-pyridinyl)methanamine
CID 78992169
(2-benzyl-4,6-dimethylpyrimidin-5-yl)methanamine
CID 28916465
[2-[(3-bromophenyl)methoxy]-4-methyl-3-pyridinyl]methanamine
CID 82827715
N-(3-benzyl-4-methyl-2-pyridinyl)benzenesulfonamide
CID 140579946
benzylbenzene;ethane;methanamine
CID 54117827
2-benzyl-3,4-dimethoxypyridine
CID 141149610
1-benzylisoquinoline;1H-pyrrole
CID 175525333
[2-(difluoromethyl)-4-methyl-3-pyridinyl]methanamine
CID 130097549
(2-benzylpyrimidin-4-yl)methanamine
CID 62748253
2-benzylpyridine-3-carboxamide;dihydrochloride
CID 141007334
2-(aminomethyl)-3-methylphenol;dihydrochloride
CID 23210549

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-4-methyl-3-pyridinyl)methanamine;dihydrochloride?
The IUPAC name of (2-benzyl-4-methyl-3-pyridinyl)methanamine;dihydrochloride (CID 141454292) is (2-benzyl-4-methyl-3-pyridinyl)methanamine;dihydrochloride.
What is the SMILES notation for (2-benzyl-4-methyl-3-pyridinyl)methanamine;dihydrochloride?
The canonical SMILES for (2-benzyl-4-methyl-3-pyridinyl)methanamine;dihydrochloride is Cc1ccnc(Cc2ccccc2)c1CN.Cl.Cl.
What is the InChIKey of (2-benzyl-4-methyl-3-pyridinyl)methanamine;dihydrochloride?
The InChIKey is QWOBOBGEWNXYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2.2ClH/c1-11-7-8-16-14(13(11)10-15)9-12-5-3-2-4-6-12;;/h2-8H,9-10,15H2,1H3;2*1H.
What are the key properties of (2-benzyl-4-methyl-3-pyridinyl)methanamine;dihydrochloride?
(2-benzyl-4-methyl-3-pyridinyl)methanamine;dihydrochloride has a molecular weight of 285.22 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-4-methyl-3-pyridinyl)methanamine;dihydrochloride is sourced from PubChem (CID 141454292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).