2-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]acetic acid

C15H16N2O2 — CID 103235916

IUPAC2-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(CNCc2ccccn2)cc1
InChIInChI=1S/C15H16N2O2/c18-15(19)9-12-4-6-13(7-5-12)10-16-11-14-3-1-2-8-17-14/h1-8,16H,9-11H2,(H,18,19)
InChIKeyVTNICNUCBXRSGY-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.00
Rot. Bonds6

About 2-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]acetic acid

2-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]acetic acid (PubChem CID 103235916) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]acetic acid
PubChem CID103235916
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(CNCc2ccccn2)cc1
InChIInChI=1S/C15H16N2O2/c18-15(19)9-12-4-6-13(7-5-12)10-16-11-14-3-1-2-8-17-14/h1-8,16H,9-11H2,(H,18,19)
InChIKeyVTNICNUCBXRSGY-UHFFFAOYSA-N
XLogP2.00
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 90740224
2-[4-[(pyridin-4-ylmethylamino)methyl]phenyl]acetic acid
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azane;methane;[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methanamine
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2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid
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2-[2-[(pyridin-2-ylmethylamino)methyl]-1,3-thiazol-4-yl]acetic acid
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1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine;oxalic acid
CID 17052907
CID 131857449
CID 131857449
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
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1-[4-(methoxymethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 60751892
1-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
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2-[4-[[(4-hydroxyphenyl)methylamino]methyl]phenyl]acetic acid
CID 103268485

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]acetic acid (CID 103235916) is 2-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]acetic acid is O=C(O)Cc1ccc(CNCc2ccccn2)cc1.
What is the InChIKey of 2-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]acetic acid?
The InChIKey is VTNICNUCBXRSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-15(19)9-12-4-6-13(7-5-12)10-16-11-14-3-1-2-8-17-14/h1-8,16H,9-11H2,(H,18,19).
What are the key properties of 2-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]acetic acid?
2-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]acetic acid has a molecular weight of 256.31 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]acetic acid is sourced from PubChem (CID 103235916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).