4-[2-amino-5-[3-[(dimethylamino)methyl]phenyl]-4-ethyl-3-pyridinyl]phenol

C22H25N3O — CID 122531736

IUPAC4-[2-amino-5-[3-[(dimethylamino)methyl]phenyl]-4-ethyl-3-pyridinyl]phenol
SMILESCCc1c(-c2cccc(CN(C)C)c2)cnc(N)c1-c1ccc(O)cc1
InChIInChI=1S/C22H25N3O/c1-4-19-20(17-7-5-6-15(12-17)14-25(2)3)13-24-22(23)21(19)16-8-10-18(26)11-9-16/h5-13,26H,4,14H2,1-3H3,(H2,23,24)
InChIKeyJJORODRUHQZDGQ-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.33
Rot. Bonds5

About 4-[2-amino-5-[3-[(dimethylamino)methyl]phenyl]-4-ethyl-3-pyridinyl]phenol

4-[2-amino-5-[3-[(dimethylamino)methyl]phenyl]-4-ethyl-3-pyridinyl]phenol (PubChem CID 122531736) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-[2-amino-5-[3-[(dimethylamino)methyl]phenyl]-4-ethyl-3-pyridinyl]phenol.

Molecular Properties

Compound Name4-[2-amino-5-[3-[(dimethylamino)methyl]phenyl]-4-ethyl-3-pyridinyl]phenol
PubChem CID122531736
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name4-[2-amino-5-[3-[(dimethylamino)methyl]phenyl]-4-ethyl-3-pyridinyl]phenol
SMILESCCc1c(-c2cccc(CN(C)C)c2)cnc(N)c1-c1ccc(O)cc1
InChIInChI=1S/C22H25N3O/c1-4-19-20(17-7-5-6-15(12-17)14-25(2)3)13-24-22(23)21(19)16-8-10-18(26)11-9-16/h5-13,26H,4,14H2,1-3H3,(H2,23,24)
InChIKeyJJORODRUHQZDGQ-UHFFFAOYSA-N
XLogP4.33
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-[3-[(dimethylamino)methyl]phenyl]-4-ethyl-3-pyridinyl]phenol?
The IUPAC name of 4-[2-amino-5-[3-[(dimethylamino)methyl]phenyl]-4-ethyl-3-pyridinyl]phenol (CID 122531736) is 4-[2-amino-5-[3-[(dimethylamino)methyl]phenyl]-4-ethyl-3-pyridinyl]phenol.
What is the SMILES notation for 4-[2-amino-5-[3-[(dimethylamino)methyl]phenyl]-4-ethyl-3-pyridinyl]phenol?
The canonical SMILES for 4-[2-amino-5-[3-[(dimethylamino)methyl]phenyl]-4-ethyl-3-pyridinyl]phenol is CCc1c(-c2cccc(CN(C)C)c2)cnc(N)c1-c1ccc(O)cc1.
What is the InChIKey of 4-[2-amino-5-[3-[(dimethylamino)methyl]phenyl]-4-ethyl-3-pyridinyl]phenol?
The InChIKey is JJORODRUHQZDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-4-19-20(17-7-5-6-15(12-17)14-25(2)3)13-24-22(23)21(19)16-8-10-18(26)11-9-16/h5-13,26H,4,14H2,1-3H3,(H2,23,24).
What are the key properties of 4-[2-amino-5-[3-[(dimethylamino)methyl]phenyl]-4-ethyl-3-pyridinyl]phenol?
4-[2-amino-5-[3-[(dimethylamino)methyl]phenyl]-4-ethyl-3-pyridinyl]phenol has a molecular weight of 347.46 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-[3-[(dimethylamino)methyl]phenyl]-4-ethyl-3-pyridinyl]phenol is sourced from PubChem (CID 122531736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).