2-ethanimidoyl-4-[4-(3-phenylpropoxy)-2-pyridinyl]aniline

C22H23N3O — CID 144762807

IUPAC2-ethanimidoyl-4-[4-(3-phenylpropoxy)-2-pyridinyl]aniline
SMILES[H]/N=C(\C)c1cc(-c2cc(OCCCc3ccccc3)ccn2)ccc1N
InChIInChI=1S/C22H23N3O/c1-16(23)20-14-18(9-10-21(20)24)22-15-19(11-12-25-22)26-13-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12,14-15,23H,5,8,13,24H2,1H3/b23-16+
InChIKeyMDDFJWGOMZTLKD-XQNSMLJCSA-N
MW345.45 g/mol
LogP4.73
Rot. Bonds7

About 2-ethanimidoyl-4-[4-(3-phenylpropoxy)-2-pyridinyl]aniline

2-ethanimidoyl-4-[4-(3-phenylpropoxy)-2-pyridinyl]aniline (PubChem CID 144762807) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-ethanimidoyl-4-[4-(3-phenylpropoxy)-2-pyridinyl]aniline.

Molecular Properties

Compound Name2-ethanimidoyl-4-[4-(3-phenylpropoxy)-2-pyridinyl]aniline
PubChem CID144762807
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name2-ethanimidoyl-4-[4-(3-phenylpropoxy)-2-pyridinyl]aniline
SMILES[H]/N=C(\C)c1cc(-c2cc(OCCCc3ccccc3)ccn2)ccc1N
InChIInChI=1S/C22H23N3O/c1-16(23)20-14-18(9-10-21(20)24)22-15-19(11-12-25-22)26-13-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12,14-15,23H,5,8,13,24H2,1H3/b23-16+
InChIKeyMDDFJWGOMZTLKD-XQNSMLJCSA-N
XLogP4.73
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[3-(3-phenylpropoxy)phenyl]ethanone
CID 21422440
2-amino-5-(3-pyridin-4-ylpropoxy)benzamide
CID 61306005
2-[[5-(4-amino-3-ethanimidoylphenyl)-6-chloro-3-pyridinyl]amino]-2-phenylethanol
CID 145192842
2,6-dimethyl-4-(3-phenylpropoxy)pyridine-3-carboximidamide
CID 81036918
2-amino-5-[2-(benzylamino)pyrimidin-5-yl]benzenecarboximidamide
CID 162531322
4-N,4-N-dimethyl-2-(3-phenylpropoxy)benzene-1,4-diamine
CID 79588899
1-[3-(4-phenylbutoxy)phenyl]ethanone
CID 114333666
2-methyl-4-(3-phenylpropoxy)benzoic acid
CID 81293485
3-phenylpropyl 2-(3-aminophenoxy)acetate
CID 61321902
2-(3-phenylpropoxy)naphthalene
CID 13432986
2-[[3-[3-(3-phenylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
CID 54853020
1,3-difluoro-2-methyl-5-(3-phenylpropoxy)benzene
CID 59931437

Frequently Asked Questions

What is the IUPAC name of 2-ethanimidoyl-4-[4-(3-phenylpropoxy)-2-pyridinyl]aniline?
The IUPAC name of 2-ethanimidoyl-4-[4-(3-phenylpropoxy)-2-pyridinyl]aniline (CID 144762807) is 2-ethanimidoyl-4-[4-(3-phenylpropoxy)-2-pyridinyl]aniline.
What is the SMILES notation for 2-ethanimidoyl-4-[4-(3-phenylpropoxy)-2-pyridinyl]aniline?
The canonical SMILES for 2-ethanimidoyl-4-[4-(3-phenylpropoxy)-2-pyridinyl]aniline is [H]/N=C(\C)c1cc(-c2cc(OCCCc3ccccc3)ccn2)ccc1N.
What is the InChIKey of 2-ethanimidoyl-4-[4-(3-phenylpropoxy)-2-pyridinyl]aniline?
The InChIKey is MDDFJWGOMZTLKD-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H23N3O/c1-16(23)20-14-18(9-10-21(20)24)22-15-19(11-12-25-22)26-13-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12,14-15,23H,5,8,13,24H2,1H3/b23-16+.
What are the key properties of 2-ethanimidoyl-4-[4-(3-phenylpropoxy)-2-pyridinyl]aniline?
2-ethanimidoyl-4-[4-(3-phenylpropoxy)-2-pyridinyl]aniline has a molecular weight of 345.45 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethanimidoyl-4-[4-(3-phenylpropoxy)-2-pyridinyl]aniline is sourced from PubChem (CID 144762807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).