1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride

C14H18Cl2N2 — CID 45156207

IUPAC1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride
SMILESCC(NCc1ccncc1)c1ccccc1.Cl.Cl
InChIInChI=1S/C14H16N2.2ClH/c1-12(14-5-3-2-4-6-14)16-11-13-7-9-15-10-8-13;;/h2-10,12,16H,11H2,1H3;2*1H
InChIKeyDXWMUGXDTJLACT-UHFFFAOYSA-N
MW285.22 g/mol
LogP3.78
Rot. Bonds4

About 1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride

1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride (PubChem CID 45156207) has the molecular formula C14H18Cl2N2 and a molecular weight of 285.22 g/mol. Its IUPAC name is 1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride
PubChem CID45156207
Molecular FormulaC14H18Cl2N2
Molecular Weight285.22 g/mol
Exact Mass284.08
IUPAC Name1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride
SMILESCC(NCc1ccncc1)c1ccccc1.Cl.Cl
InChIInChI=1S/C14H16N2.2ClH/c1-12(14-5-3-2-4-6-14)16-11-13-7-9-15-10-8-13;;/h2-10,12,16H,11H2,1H3;2*1H
InChIKeyDXWMUGXDTJLACT-UHFFFAOYSA-N
XLogP3.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
(1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 28669732
(1S)-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669648
(1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669780
N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride
CID 15945718
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine;hydrochloride
CID 172883048
(1S)-1-phenyl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 78950279
1-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204819
1-phenyl-N-(pyridin-4-ylmethyl)butan-1-amine;hydrochloride
CID 17155648
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine
CID 966918
N-[(4-fluorophenyl)methyl]-1-phenylethanamine
CID 2758971
N-benzyl-1-(4-propan-2-ylphenyl)ethanamine
CID 43177533

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride?
The IUPAC name of 1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride (CID 45156207) is 1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride.
What is the SMILES notation for 1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride?
The canonical SMILES for 1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride is CC(NCc1ccncc1)c1ccccc1.Cl.Cl.
What is the InChIKey of 1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride?
The InChIKey is DXWMUGXDTJLACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2.2ClH/c1-12(14-5-3-2-4-6-14)16-11-13-7-9-15-10-8-13;;/h2-10,12,16H,11H2,1H3;2*1H.
What are the key properties of 1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride?
1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride has a molecular weight of 285.22 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride is sourced from PubChem (CID 45156207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).