(3-pyridin-4-ylphenyl)methanamine;dihydrochloride

C12H14Cl2N2 — CID 23086760

IUPAC(3-pyridin-4-ylphenyl)methanamine;dihydrochloride
SMILESCl.Cl.NCc1cccc(-c2ccncc2)c1
InChIInChI=1S/C12H12N2.2ClH/c13-9-10-2-1-3-12(8-10)11-4-6-14-7-5-11;;/h1-8H,9,13H2;2*1H
InChIKeyFNHSLLARFULMLI-UHFFFAOYSA-N
MW257.16 g/mol
LogP3.05
Rot. Bonds2

About (3-pyridin-4-ylphenyl)methanamine;dihydrochloride

(3-pyridin-4-ylphenyl)methanamine;dihydrochloride (PubChem CID 23086760) has the molecular formula C12H14Cl2N2 and a molecular weight of 257.16 g/mol. Its IUPAC name is (3-pyridin-4-ylphenyl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(3-pyridin-4-ylphenyl)methanamine;dihydrochloride
PubChem CID23086760
Molecular FormulaC12H14Cl2N2
Molecular Weight257.16 g/mol
Exact Mass256.05
IUPAC Name(3-pyridin-4-ylphenyl)methanamine;dihydrochloride
SMILESCl.Cl.NCc1cccc(-c2ccncc2)c1
InChIInChI=1S/C12H12N2.2ClH/c13-9-10-2-1-3-12(8-10)11-4-6-14-7-5-11;;/h1-8H,9,13H2;2*1H
InChIKeyFNHSLLARFULMLI-UHFFFAOYSA-N
XLogP3.05
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(4-methylphenyl)phenyl]methanamine
CID 1392243
(5-pyridin-4-yl-3-pyridinyl)methanamine
CID 71301604
(3-quinoxalin-6-ylphenyl)methanamine
CID 68623609
(3-methylphenyl)methanamine;4-methylpyridine
CID 142051199
[3-(3-propylphenyl)phenyl]methanamine
CID 1392934
[3-[6-[3-(aminomethyl)phenyl]-9H-fluoren-3-yl]phenyl]methanamine
CID 158799416
4-[4-(3-phenylphenyl)phenyl]pyridine
CID 58943522
3-phenylbenzamide;(3-phenylphenyl)methanamine;dihydrochloride
CID 154810020
[3-[3-(methylaminomethyl)phenyl]phenyl]methanamine
CID 58788121
[3-(5-methylthiophen-3-yl)phenyl]methanamine
CID 65100908
N-[[3-(aminomethyl)phenyl]methyl]pyridin-4-amine
CID 43589478
3-[3-(aminomethyl)phenyl]benzoic acid;hydrochloride
CID 138038044

Frequently Asked Questions

What is the IUPAC name of (3-pyridin-4-ylphenyl)methanamine;dihydrochloride?
The IUPAC name of (3-pyridin-4-ylphenyl)methanamine;dihydrochloride (CID 23086760) is (3-pyridin-4-ylphenyl)methanamine;dihydrochloride.
What is the SMILES notation for (3-pyridin-4-ylphenyl)methanamine;dihydrochloride?
The canonical SMILES for (3-pyridin-4-ylphenyl)methanamine;dihydrochloride is Cl.Cl.NCc1cccc(-c2ccncc2)c1.
What is the InChIKey of (3-pyridin-4-ylphenyl)methanamine;dihydrochloride?
The InChIKey is FNHSLLARFULMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.2ClH/c13-9-10-2-1-3-12(8-10)11-4-6-14-7-5-11;;/h1-8H,9,13H2;2*1H.
What are the key properties of (3-pyridin-4-ylphenyl)methanamine;dihydrochloride?
(3-pyridin-4-ylphenyl)methanamine;dihydrochloride has a molecular weight of 257.16 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-4-ylphenyl)methanamine;dihydrochloride is sourced from PubChem (CID 23086760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).