2-(3,5-difluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine

C14H14F2N2 — CID 62317287

IUPAC2-(3,5-difluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
SMILESFc1cc(F)cc(CCNCc2ccccn2)c1
InChIInChI=1S/C14H14F2N2/c15-12-7-11(8-13(16)9-12)4-6-17-10-14-3-1-2-5-18-14/h1-3,5,7-9,17H,4,6,10H2
InChIKeyGAXWOUFSIMAVDZ-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.69
Rot. Bonds5

About 2-(3,5-difluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine

2-(3,5-difluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 62317287) has the molecular formula C14H14F2N2 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID62317287
Molecular FormulaC14H14F2N2
Molecular Weight248.28 g/mol
Exact Mass248.11
IUPAC Name2-(3,5-difluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
SMILESFc1cc(F)cc(CCNCc2ccccn2)c1
InChIInChI=1S/C14H14F2N2/c15-12-7-11(8-13(16)9-12)4-6-17-10-14-3-1-2-5-18-14/h1-3,5,7-9,17H,4,6,10H2
InChIKeyGAXWOUFSIMAVDZ-UHFFFAOYSA-N
XLogP2.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 4723814
N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
CID 13082717
2-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 4723813
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 90740224
4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 158855450
N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
CID 28579130
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
N-(pyridin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63829197
3-bromo-N-(pyridin-2-ylmethyl)propan-1-amine
CID 114293539
4,4,4-trifluoro-N-(pyridin-2-ylmethyl)butan-1-amine
CID 79039082
2-methylsulfinyl-N-(pyridin-2-ylmethyl)ethanamine
CID 115632570

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine (CID 62317287) is 2-(3,5-difluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine is Fc1cc(F)cc(CCNCc2ccccn2)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is GAXWOUFSIMAVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2/c15-12-7-11(8-13(16)9-12)4-6-17-10-14-3-1-2-5-18-14/h1-3,5,7-9,17H,4,6,10H2.
What are the key properties of 2-(3,5-difluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine?
2-(3,5-difluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 248.28 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 62317287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).