4-[[(3-propoxy-2-pyridinyl)amino]methyl]phenol

C15H18N2O2 — CID 114332578

IUPAC4-[[(3-propoxy-2-pyridinyl)amino]methyl]phenol
SMILESCCCOc1cccnc1NCc1ccc(O)cc1
InChIInChI=1S/C15H18N2O2/c1-2-10-19-14-4-3-9-16-15(14)17-11-12-5-7-13(18)8-6-12/h3-9,18H,2,10-11H2,1H3,(H,16,17)
InChIKeyHBRFOCIGNVEFBI-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.19
Rot. Bonds6

About 4-[[(3-propoxy-2-pyridinyl)amino]methyl]phenol

4-[[(3-propoxy-2-pyridinyl)amino]methyl]phenol (PubChem CID 114332578) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[[(3-propoxy-2-pyridinyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[(3-propoxy-2-pyridinyl)amino]methyl]phenol
PubChem CID114332578
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-[[(3-propoxy-2-pyridinyl)amino]methyl]phenol
SMILESCCCOc1cccnc1NCc1ccc(O)cc1
InChIInChI=1S/C15H18N2O2/c1-2-10-19-14-4-3-9-16-15(14)17-11-12-5-7-13(18)8-6-12/h3-9,18H,2,10-11H2,1H3,(H,16,17)
InChIKeyHBRFOCIGNVEFBI-UHFFFAOYSA-N
XLogP3.19
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylphenyl)methyl]-3-propoxypyridin-2-amine
CID 106900046
N-[(4-ethylphenyl)methyl]-3-methoxypyridin-2-amine
CID 103872142
N-(2-methyl-2-methylsulfanylpropyl)-3-propoxypyridin-2-amine
CID 113479021
2,3-dimethyl-3-[(3-propoxy-2-pyridinyl)amino]butan-2-ol
CID 106185999
5-[(3-propoxy-2-pyridinyl)amino]pentan-2-ol
CID 106129002
N-[(4-ethylphenyl)methyl]-3-propan-2-yloxypyridin-2-amine
CID 106900068
N-[(4-bromophenyl)methyl]-3-methoxypyridin-2-amine
CID 112547909
N-pent-3-ynyl-3-propoxypyridin-2-amine
CID 116644405
N-pent-4-ynyl-3-propoxypyridin-2-amine
CID 106222583
4-[[(3-methylpyrazin-2-yl)amino]methyl]phenol
CID 114332604
N-ethyl-3-[(2-propoxyphenoxy)methyl]pyridin-2-amine
CID 62465153
4,4-dimethyl-1-N-(3-propoxy-2-pyridinyl)pentane-1,2-diamine
CID 107159121

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-propoxy-2-pyridinyl)amino]methyl]phenol?
The IUPAC name of 4-[[(3-propoxy-2-pyridinyl)amino]methyl]phenol (CID 114332578) is 4-[[(3-propoxy-2-pyridinyl)amino]methyl]phenol.
What is the SMILES notation for 4-[[(3-propoxy-2-pyridinyl)amino]methyl]phenol?
The canonical SMILES for 4-[[(3-propoxy-2-pyridinyl)amino]methyl]phenol is CCCOc1cccnc1NCc1ccc(O)cc1.
What is the InChIKey of 4-[[(3-propoxy-2-pyridinyl)amino]methyl]phenol?
The InChIKey is HBRFOCIGNVEFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-10-19-14-4-3-9-16-15(14)17-11-12-5-7-13(18)8-6-12/h3-9,18H,2,10-11H2,1H3,(H,16,17).
What are the key properties of 4-[[(3-propoxy-2-pyridinyl)amino]methyl]phenol?
4-[[(3-propoxy-2-pyridinyl)amino]methyl]phenol has a molecular weight of 258.32 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-propoxy-2-pyridinyl)amino]methyl]phenol is sourced from PubChem (CID 114332578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).