[3-[[2-(propylamino)-3-pyridinyl]methoxy]phenyl]methanol

C16H20N2O2 — CID 62467832

IUPAC[3-[[2-(propylamino)-3-pyridinyl]methoxy]phenyl]methanol
SMILESCCCNc1ncccc1COc1cccc(CO)c1
InChIInChI=1S/C16H20N2O2/c1-2-8-17-16-14(6-4-9-18-16)12-20-15-7-3-5-13(10-15)11-19/h3-7,9-10,19H,2,8,11-12H2,1H3,(H,17,18)
InChIKeyVXNRAZWZXMDXFM-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.97
Rot. Bonds7

About [3-[[2-(propylamino)-3-pyridinyl]methoxy]phenyl]methanol

[3-[[2-(propylamino)-3-pyridinyl]methoxy]phenyl]methanol (PubChem CID 62467832) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is [3-[[2-(propylamino)-3-pyridinyl]methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-[[2-(propylamino)-3-pyridinyl]methoxy]phenyl]methanol
PubChem CID62467832
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name[3-[[2-(propylamino)-3-pyridinyl]methoxy]phenyl]methanol
SMILESCCCNc1ncccc1COc1cccc(CO)c1
InChIInChI=1S/C16H20N2O2/c1-2-8-17-16-14(6-4-9-18-16)12-20-15-7-3-5-13(10-15)11-19/h3-7,9-10,19H,2,8,11-12H2,1H3,(H,17,18)
InChIKeyVXNRAZWZXMDXFM-UHFFFAOYSA-N
XLogP2.97
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-ethylphenoxy)methyl]-N-propylpyridin-2-amine
CID 62465500
3-[(4-bromophenoxy)methyl]-N-propylpyridin-2-amine
CID 55075630
[3-[[6-(propylamino)-2-pyridinyl]methoxy]phenyl]methanol
CID 79238949
3-[(2-fluoro-3-methylphenoxy)methyl]-N-propylpyridin-2-amine
CID 107660665
3-[(2,5-dichlorophenoxy)methyl]-N-propylpyridin-2-amine
CID 63486701
3-[(4-chlorophenyl)methoxymethyl]-N-propylpyridin-2-amine
CID 65125822
[3-[[6-(ethylamino)-3-pyridinyl]methoxy]phenyl]methanol
CID 62189596
3-[(2-chlorophenyl)methoxymethyl]-N-propylpyridin-2-amine
CID 62465145
2-[2-[[3-(hydroxymethyl)phenoxy]methyl]phenyl]acetic acid
CID 115460733
2-[3-(hydroxymethyl)phenoxy]-N-propylacetamide
CID 28561994
[2-(3-butoxypropylamino)-3-pyridinyl]methanol
CID 82341843
3-[3-(2-methoxyethoxy)propoxymethyl]-N-propylpyridin-2-amine
CID 103405422

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(propylamino)-3-pyridinyl]methoxy]phenyl]methanol?
The IUPAC name of [3-[[2-(propylamino)-3-pyridinyl]methoxy]phenyl]methanol (CID 62467832) is [3-[[2-(propylamino)-3-pyridinyl]methoxy]phenyl]methanol.
What is the SMILES notation for [3-[[2-(propylamino)-3-pyridinyl]methoxy]phenyl]methanol?
The canonical SMILES for [3-[[2-(propylamino)-3-pyridinyl]methoxy]phenyl]methanol is CCCNc1ncccc1COc1cccc(CO)c1.
What is the InChIKey of [3-[[2-(propylamino)-3-pyridinyl]methoxy]phenyl]methanol?
The InChIKey is VXNRAZWZXMDXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-8-17-16-14(6-4-9-18-16)12-20-15-7-3-5-13(10-15)11-19/h3-7,9-10,19H,2,8,11-12H2,1H3,(H,17,18).
What are the key properties of [3-[[2-(propylamino)-3-pyridinyl]methoxy]phenyl]methanol?
[3-[[2-(propylamino)-3-pyridinyl]methoxy]phenyl]methanol has a molecular weight of 272.35 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(propylamino)-3-pyridinyl]methoxy]phenyl]methanol is sourced from PubChem (CID 62467832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).