4-[3-[(3-ethyl-2-pyridinyl)methylamino]butyl]phenol

C18H24N2O — CID 82732195

IUPAC4-[3-[(3-ethyl-2-pyridinyl)methylamino]butyl]phenol
SMILESCCc1cccnc1CNC(C)CCc1ccc(O)cc1
InChIInChI=1S/C18H24N2O/c1-3-16-5-4-12-19-18(16)13-20-14(2)6-7-15-8-10-17(21)11-9-15/h4-5,8-12,14,20-21H,3,6-7,13H2,1-2H3
InChIKeyBWDXFLDVJKDJGU-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.46
Rot. Bonds7

About 4-[3-[(3-ethyl-2-pyridinyl)methylamino]butyl]phenol

4-[3-[(3-ethyl-2-pyridinyl)methylamino]butyl]phenol (PubChem CID 82732195) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-[3-[(3-ethyl-2-pyridinyl)methylamino]butyl]phenol.

Molecular Properties

Compound Name4-[3-[(3-ethyl-2-pyridinyl)methylamino]butyl]phenol
PubChem CID82732195
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name4-[3-[(3-ethyl-2-pyridinyl)methylamino]butyl]phenol
SMILESCCc1cccnc1CNC(C)CCc1ccc(O)cc1
InChIInChI=1S/C18H24N2O/c1-3-16-5-4-12-19-18(16)13-20-14(2)6-7-15-8-10-17(21)11-9-15/h4-5,8-12,14,20-21H,3,6-7,13H2,1-2H3
InChIKeyBWDXFLDVJKDJGU-UHFFFAOYSA-N
XLogP3.46
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-[(3-ethyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol
CID 107707041
4-[3-[(4-methylphenyl)methylamino]butyl]phenol
CID 43196100
4-[3-[(2,3-dichlorophenyl)methylamino]butyl]phenol
CID 43746669
2-[(3-ethyl-2-pyridinyl)methylamino]-N'-hydroxypropanimidamide
CID 82739404
4-[3-[(6-methyl-2-pyridinyl)methylamino]butyl]phenol
CID 62322123
2-fluoro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-3-carboxamide
CID 107363208
4-[[4-(4-hydroxyphenyl)butan-2-ylamino]methyl]benzamide
CID 119122196
N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine
CID 82732936
2-[(3-ethyl-2-pyridinyl)methylamino]-N-phenylpropanamide
CID 82736524
2-(butan-2-ylamino)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82738513
2-[(3-ethyl-2-pyridinyl)methylamino]ethanol
CID 82738095
4-[3-(thiophen-3-ylmethylamino)butyl]phenol
CID 43746689

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-ethyl-2-pyridinyl)methylamino]butyl]phenol?
The IUPAC name of 4-[3-[(3-ethyl-2-pyridinyl)methylamino]butyl]phenol (CID 82732195) is 4-[3-[(3-ethyl-2-pyridinyl)methylamino]butyl]phenol.
What is the SMILES notation for 4-[3-[(3-ethyl-2-pyridinyl)methylamino]butyl]phenol?
The canonical SMILES for 4-[3-[(3-ethyl-2-pyridinyl)methylamino]butyl]phenol is CCc1cccnc1CNC(C)CCc1ccc(O)cc1.
What is the InChIKey of 4-[3-[(3-ethyl-2-pyridinyl)methylamino]butyl]phenol?
The InChIKey is BWDXFLDVJKDJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-16-5-4-12-19-18(16)13-20-14(2)6-7-15-8-10-17(21)11-9-15/h4-5,8-12,14,20-21H,3,6-7,13H2,1-2H3.
What are the key properties of 4-[3-[(3-ethyl-2-pyridinyl)methylamino]butyl]phenol?
4-[3-[(3-ethyl-2-pyridinyl)methylamino]butyl]phenol has a molecular weight of 284.40 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-ethyl-2-pyridinyl)methylamino]butyl]phenol is sourced from PubChem (CID 82732195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).