(4-ethylphenyl)-pyridin-3-ylmethanamine;dihydrochloride

C14H18Cl2N2 — CID 117071668

IUPAC(4-ethylphenyl)-pyridin-3-ylmethanamine;dihydrochloride
SMILESCCc1ccc(C(N)c2cccnc2)cc1.Cl.Cl
InChIInChI=1S/C14H16N2.2ClH/c1-2-11-5-7-12(8-6-11)14(15)13-4-3-9-16-10-13;;/h3-10,14H,2,15H2,1H3;2*1H
InChIKeyCHQRMVFWODRQQJ-UHFFFAOYSA-N
MW285.22 g/mol
LogP3.54
Rot. Bonds3

About (4-ethylphenyl)-pyridin-3-ylmethanamine;dihydrochloride

(4-ethylphenyl)-pyridin-3-ylmethanamine;dihydrochloride (PubChem CID 117071668) has the molecular formula C14H18Cl2N2 and a molecular weight of 285.22 g/mol. Its IUPAC name is (4-ethylphenyl)-pyridin-3-ylmethanamine;dihydrochloride.

Molecular Properties

Compound Name(4-ethylphenyl)-pyridin-3-ylmethanamine;dihydrochloride
PubChem CID117071668
Molecular FormulaC14H18Cl2N2
Molecular Weight285.22 g/mol
Exact Mass284.08
IUPAC Name(4-ethylphenyl)-pyridin-3-ylmethanamine;dihydrochloride
SMILESCCc1ccc(C(N)c2cccnc2)cc1.Cl.Cl
InChIInChI=1S/C14H16N2.2ClH/c1-2-11-5-7-12(8-6-11)14(15)13-4-3-9-16-10-13;;/h3-10,14H,2,15H2,1H3;2*1H
InChIKeyCHQRMVFWODRQQJ-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-methylpropyl)phenyl]-pyridin-3-ylmethanamine
CID 43198863
phenyl(pyridin-3-yl)methanamine;hydrochloride
CID 23724449
(4-ethylphenyl)-pyridazin-4-ylmethanamine
CID 105121539
(R)-(4-bromophenyl)-pyridin-3-ylmethanamine
CID 42137795
ethane;pyridin-3-yl(pyrimidin-5-yl)methanamine
CID 145185117
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
pyridin-3-yl-[4-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 70392473
(3-fluoro-4-methylphenyl)-pyridin-3-ylmethanamine
CID 60923509
(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
3-ethylpyridine
CID 10823
(4-ethylphenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 43109928
(3-ethyl-1-methylpyrazol-4-yl)-pyridin-3-ylmethanamine
CID 102812033

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-pyridin-3-ylmethanamine;dihydrochloride?
The IUPAC name of (4-ethylphenyl)-pyridin-3-ylmethanamine;dihydrochloride (CID 117071668) is (4-ethylphenyl)-pyridin-3-ylmethanamine;dihydrochloride.
What is the SMILES notation for (4-ethylphenyl)-pyridin-3-ylmethanamine;dihydrochloride?
The canonical SMILES for (4-ethylphenyl)-pyridin-3-ylmethanamine;dihydrochloride is CCc1ccc(C(N)c2cccnc2)cc1.Cl.Cl.
What is the InChIKey of (4-ethylphenyl)-pyridin-3-ylmethanamine;dihydrochloride?
The InChIKey is CHQRMVFWODRQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2.2ClH/c1-2-11-5-7-12(8-6-11)14(15)13-4-3-9-16-10-13;;/h3-10,14H,2,15H2,1H3;2*1H.
What are the key properties of (4-ethylphenyl)-pyridin-3-ylmethanamine;dihydrochloride?
(4-ethylphenyl)-pyridin-3-ylmethanamine;dihydrochloride has a molecular weight of 285.22 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-pyridin-3-ylmethanamine;dihydrochloride is sourced from PubChem (CID 117071668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).