[4-[benzyl(propan-2-yl)amino]-3-pyridinyl]methanol

C16H20N2O — CID 81237660

IUPAC[4-[benzyl(propan-2-yl)amino]-3-pyridinyl]methanol
SMILESCC(C)N(Cc1ccccc1)c1ccncc1CO
InChIInChI=1S/C16H20N2O/c1-13(2)18(11-14-6-4-3-5-7-14)16-8-9-17-10-15(16)12-19/h3-10,13,19H,11-12H2,1-2H3
InChIKeyFUMRBMSMIIOUQC-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.99
Rot. Bonds5

About [4-[benzyl(propan-2-yl)amino]-3-pyridinyl]methanol

[4-[benzyl(propan-2-yl)amino]-3-pyridinyl]methanol (PubChem CID 81237660) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is [4-[benzyl(propan-2-yl)amino]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-[benzyl(propan-2-yl)amino]-3-pyridinyl]methanol
PubChem CID81237660
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name[4-[benzyl(propan-2-yl)amino]-3-pyridinyl]methanol
SMILESCC(C)N(Cc1ccccc1)c1ccncc1CO
InChIInChI=1S/C16H20N2O/c1-13(2)18(11-14-6-4-3-5-7-14)16-8-9-17-10-15(16)12-19/h3-10,13,19H,11-12H2,1-2H3
InChIKeyFUMRBMSMIIOUQC-UHFFFAOYSA-N
XLogP2.99
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[benzyl(ethyl)amino]-4-pyridinyl]methanol
CID 105066690
N-benzyl-2-(ethylaminomethyl)-N-propan-2-ylaniline
CID 43280633
3-(aminomethyl)-N-benzyl-N-ethylpyridin-4-amine
CID 81248963
[4-[1-(2-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol
CID 81238920
[3-(hydroxymethyl)-4-pyridinyl]-phenylmethanol
CID 59205218
[4-[benzyl(propan-2-yl)amino]-2-pyridinyl]methanol
CID 61254549
3-(ethylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 81246160
[4-(N-ethyl-2-methylanilino)-3-pyridinyl]methanol
CID 81238710
1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea
CID 110706279
2-N-benzyl-6-N-methyl-2-N-propan-2-ylpyrazine-2,6-diamine
CID 80754126
[3-[cyclopropylmethyl(propan-2-yl)amino]-4-pyridinyl]methanol
CID 105066798
3-(aminomethyl)-N-propan-2-yl-N-propylpyridin-4-amine
CID 81248637

Frequently Asked Questions

What is the IUPAC name of [4-[benzyl(propan-2-yl)amino]-3-pyridinyl]methanol?
The IUPAC name of [4-[benzyl(propan-2-yl)amino]-3-pyridinyl]methanol (CID 81237660) is [4-[benzyl(propan-2-yl)amino]-3-pyridinyl]methanol.
What is the SMILES notation for [4-[benzyl(propan-2-yl)amino]-3-pyridinyl]methanol?
The canonical SMILES for [4-[benzyl(propan-2-yl)amino]-3-pyridinyl]methanol is CC(C)N(Cc1ccccc1)c1ccncc1CO.
What is the InChIKey of [4-[benzyl(propan-2-yl)amino]-3-pyridinyl]methanol?
The InChIKey is FUMRBMSMIIOUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-13(2)18(11-14-6-4-3-5-7-14)16-8-9-17-10-15(16)12-19/h3-10,13,19H,11-12H2,1-2H3.
What are the key properties of [4-[benzyl(propan-2-yl)amino]-3-pyridinyl]methanol?
[4-[benzyl(propan-2-yl)amino]-3-pyridinyl]methanol has a molecular weight of 256.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[benzyl(propan-2-yl)amino]-3-pyridinyl]methanol is sourced from PubChem (CID 81237660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).