2-[benzyl(ethyl)amino]-1-pyridin-4-ylethanol

C16H20N2O — CID 112501695

IUPAC2-[benzyl(ethyl)amino]-1-pyridin-4-ylethanol
SMILESCCN(Cc1ccccc1)CC(O)c1ccncc1
InChIInChI=1S/C16H20N2O/c1-2-18(12-14-6-4-3-5-7-14)13-16(19)15-8-10-17-11-9-15/h3-11,16,19H,2,12-13H2,1H3
InChIKeyICZVGQOBTLSEFJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.64
Rot. Bonds6

About 2-[benzyl(ethyl)amino]-1-pyridin-4-ylethanol

2-[benzyl(ethyl)amino]-1-pyridin-4-ylethanol (PubChem CID 112501695) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-1-pyridin-4-ylethanol.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-1-pyridin-4-ylethanol
PubChem CID112501695
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-[benzyl(ethyl)amino]-1-pyridin-4-ylethanol
SMILESCCN(Cc1ccccc1)CC(O)c1ccncc1
InChIInChI=1S/C16H20N2O/c1-2-18(12-14-6-4-3-5-7-14)13-16(19)15-8-10-17-11-9-15/h3-11,16,19H,2,12-13H2,1H3
InChIKeyICZVGQOBTLSEFJ-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol
CID 92856160
2-[ethyl(pyridin-3-ylmethyl)amino]-1-(4-methylphenyl)ethanol
CID 71988626
2-[benzyl(ethyl)amino]-1-(4-imidazol-1-ylphenyl)ethanol;phosphoric acid
CID 14555662
1-chloro-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 112561407
2-[bis(2-methylpropyl)amino]-1-pyridin-4-ylethanol
CID 82216500
(1R)-2-[benzyl(pyridin-4-ylmethyl)amino]-1-(furan-2-yl)ethanol
CID 97082119
4-[benzyl(ethyl)amino]butane-1,3-diol
CID 142177129
2-[benzyl(2-hydroxyiminopropyl)amino]-1-phenylethanol
CID 88812154
N'-benzyl-N'-ethyl-1-phenylethane-1,2-diamine
CID 43126115
3-[ethyl(pyridin-4-ylmethyl)amino]-1-(3-fluorophenyl)propan-1-ol
CID 62628781
1-(ethylamino)-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 54948256
3-[benzyl(ethyl)amino]-2-methyl-1,1-diphenylpropan-1-ol;hydron;chloride
CID 50986800

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-1-pyridin-4-ylethanol?
The IUPAC name of 2-[benzyl(ethyl)amino]-1-pyridin-4-ylethanol (CID 112501695) is 2-[benzyl(ethyl)amino]-1-pyridin-4-ylethanol.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-1-pyridin-4-ylethanol?
The canonical SMILES for 2-[benzyl(ethyl)amino]-1-pyridin-4-ylethanol is CCN(Cc1ccccc1)CC(O)c1ccncc1.
What is the InChIKey of 2-[benzyl(ethyl)amino]-1-pyridin-4-ylethanol?
The InChIKey is ICZVGQOBTLSEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-18(12-14-6-4-3-5-7-14)13-16(19)15-8-10-17-11-9-15/h3-11,16,19H,2,12-13H2,1H3.
What are the key properties of 2-[benzyl(ethyl)amino]-1-pyridin-4-ylethanol?
2-[benzyl(ethyl)amino]-1-pyridin-4-ylethanol has a molecular weight of 256.35 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]-1-pyridin-4-ylethanol is sourced from PubChem (CID 112501695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).