2,2,4-trimethyl-1-[[phenyl(pyridin-2-yl)methyl]amino]pentan-3-ol

C20H28N2O — CID 110011313

IUPAC2,2,4-trimethyl-1-[[phenyl(pyridin-2-yl)methyl]amino]pentan-3-ol
SMILESCC(C)C(O)C(C)(C)CNC(c1ccccc1)c1ccccn1
InChIInChI=1S/C20H28N2O/c1-15(2)19(23)20(3,4)14-22-18(16-10-6-5-7-11-16)17-12-8-9-13-21-17/h5-13,15,18-19,22-23H,14H2,1-4H3
InChIKeyNIIJCTJDNWSCBM-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.80
Rot. Bonds7

About 2,2,4-trimethyl-1-[[phenyl(pyridin-2-yl)methyl]amino]pentan-3-ol

2,2,4-trimethyl-1-[[phenyl(pyridin-2-yl)methyl]amino]pentan-3-ol (PubChem CID 110011313) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 2,2,4-trimethyl-1-[[phenyl(pyridin-2-yl)methyl]amino]pentan-3-ol.

Molecular Properties

Compound Name2,2,4-trimethyl-1-[[phenyl(pyridin-2-yl)methyl]amino]pentan-3-ol
PubChem CID110011313
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name2,2,4-trimethyl-1-[[phenyl(pyridin-2-yl)methyl]amino]pentan-3-ol
SMILESCC(C)C(O)C(C)(C)CNC(c1ccccc1)c1ccccn1
InChIInChI=1S/C20H28N2O/c1-15(2)19(23)20(3,4)14-22-18(16-10-6-5-7-11-16)17-12-8-9-13-21-17/h5-13,15,18-19,22-23H,14H2,1-4H3
InChIKeyNIIJCTJDNWSCBM-UHFFFAOYSA-N
XLogP3.80
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[phenyl(pyridin-2-yl)methyl]amino]-2-thiophen-2-ylpropan-2-ol
CID 110010749
(2R)-3-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]butan-1-ol
CID 68622948
N-[(1R)-1-phenylethyl]-2-[[(R)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725839
N-[(1R)-1-phenylethyl]-2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725829
ethyl 2-[[phenyl(pyridin-2-yl)methyl]amino]acetate
CID 60681847
(2R)-2-[[(R)-phenyl(pyridin-2-yl)methyl]amino]propanamide
CID 34156658
5-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]pentan-1-amine
CID 104926413
N-methyl-N-(1-phenylethyl)-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 55410573
N'-[phenyl(pyridin-2-yl)methyl]propane-1,3-diamine
CID 60889324
1-phenyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol
CID 81407252
1-phenyl-2-(1-pyridin-2-ylethylamino)ethanol
CID 43394637
2-ethylsulfonyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 103948036

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-1-[[phenyl(pyridin-2-yl)methyl]amino]pentan-3-ol?
The IUPAC name of 2,2,4-trimethyl-1-[[phenyl(pyridin-2-yl)methyl]amino]pentan-3-ol (CID 110011313) is 2,2,4-trimethyl-1-[[phenyl(pyridin-2-yl)methyl]amino]pentan-3-ol.
What is the SMILES notation for 2,2,4-trimethyl-1-[[phenyl(pyridin-2-yl)methyl]amino]pentan-3-ol?
The canonical SMILES for 2,2,4-trimethyl-1-[[phenyl(pyridin-2-yl)methyl]amino]pentan-3-ol is CC(C)C(O)C(C)(C)CNC(c1ccccc1)c1ccccn1.
What is the InChIKey of 2,2,4-trimethyl-1-[[phenyl(pyridin-2-yl)methyl]amino]pentan-3-ol?
The InChIKey is NIIJCTJDNWSCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-15(2)19(23)20(3,4)14-22-18(16-10-6-5-7-11-16)17-12-8-9-13-21-17/h5-13,15,18-19,22-23H,14H2,1-4H3.
What are the key properties of 2,2,4-trimethyl-1-[[phenyl(pyridin-2-yl)methyl]amino]pentan-3-ol?
2,2,4-trimethyl-1-[[phenyl(pyridin-2-yl)methyl]amino]pentan-3-ol has a molecular weight of 312.46 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-1-[[phenyl(pyridin-2-yl)methyl]amino]pentan-3-ol is sourced from PubChem (CID 110011313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).