[3-(N-butylanilino)-4-pyridinyl]methanol

C16H20N2O — CID 105066896

IUPAC[3-(N-butylanilino)-4-pyridinyl]methanol
SMILESCCCCN(c1ccccc1)c1cnccc1CO
InChIInChI=1S/C16H20N2O/c1-2-3-11-18(15-7-5-4-6-8-15)16-12-17-10-9-14(16)13-19/h4-10,12,19H,2-3,11,13H2,1H3
InChIKeyAYOKZGAQTRDPNL-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.51
Rot. Bonds6

About [3-(N-butylanilino)-4-pyridinyl]methanol

[3-(N-butylanilino)-4-pyridinyl]methanol (PubChem CID 105066896) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is [3-(N-butylanilino)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(N-butylanilino)-4-pyridinyl]methanol
PubChem CID105066896
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name[3-(N-butylanilino)-4-pyridinyl]methanol
SMILESCCCCN(c1ccccc1)c1cnccc1CO
InChIInChI=1S/C16H20N2O/c1-2-3-11-18(15-7-5-4-6-8-15)16-12-17-10-9-14(16)13-19/h4-10,12,19H,2-3,11,13H2,1H3
InChIKeyAYOKZGAQTRDPNL-UHFFFAOYSA-N
XLogP3.51
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(N-butylanilino)-4-pyridinyl]methanol?
The IUPAC name of [3-(N-butylanilino)-4-pyridinyl]methanol (CID 105066896) is [3-(N-butylanilino)-4-pyridinyl]methanol.
What is the SMILES notation for [3-(N-butylanilino)-4-pyridinyl]methanol?
The canonical SMILES for [3-(N-butylanilino)-4-pyridinyl]methanol is CCCCN(c1ccccc1)c1cnccc1CO.
What is the InChIKey of [3-(N-butylanilino)-4-pyridinyl]methanol?
The InChIKey is AYOKZGAQTRDPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-3-11-18(15-7-5-4-6-8-15)16-12-17-10-9-14(16)13-19/h4-10,12,19H,2-3,11,13H2,1H3.
What are the key properties of [3-(N-butylanilino)-4-pyridinyl]methanol?
[3-(N-butylanilino)-4-pyridinyl]methanol has a molecular weight of 256.35 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(N-butylanilino)-4-pyridinyl]methanol is sourced from PubChem (CID 105066896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).