3-(anthracen-9-ylmethylideneamino)propan-1-ol

C18H17NO — CID 4598040

IUPAC3-(anthracen-9-ylmethylideneamino)propan-1-ol
SMILESOCCC/N=C/c1c2ccccc2cc2ccccc12
InChIInChI=1S/C18H17NO/c20-11-5-10-19-13-18-16-8-3-1-6-14(16)12-15-7-2-4-9-17(15)18/h1-4,6-9,12-13,20H,5,10-11H2/b19-13+
InChIKeyCJYJAAWSACYFFJ-CPNJWEJPSA-N
MW263.34 g/mol
LogP3.79
Rot. Bonds4

About 3-(anthracen-9-ylmethylideneamino)propan-1-ol

3-(anthracen-9-ylmethylideneamino)propan-1-ol (PubChem CID 4598040) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(anthracen-9-ylmethylideneamino)propan-1-ol.

Molecular Properties

Compound Name3-(anthracen-9-ylmethylideneamino)propan-1-ol
PubChem CID4598040
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name3-(anthracen-9-ylmethylideneamino)propan-1-ol
SMILESOCCC/N=C/c1c2ccccc2cc2ccccc12
InChIInChI=1S/C18H17NO/c20-11-5-10-19-13-18-16-8-3-1-6-14(16)12-15-7-2-4-9-17(15)18/h1-4,6-9,12-13,20H,5,10-11H2/b19-13+
InChIKeyCJYJAAWSACYFFJ-CPNJWEJPSA-N
XLogP3.79
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-[2-(anthracen-9-ylmethylideneamino)ethyl]benzene-1,2-diol
CID 122222745
3-(anthracen-9-ylmethylideneamino)-N-hydroxypropanamide
CID 15306192
(NZ)-N-(anthracen-9-ylmethylidene)hydroxylamine
CID 5355154
N,N-bis[2-(anthracen-9-ylmethylideneamino)ethyl]-2-(benzylideneamino)ethanamine
CID 11104046
1-(pentyliminomethyl)naphthalen-2-ol
CID 137231972
[9-(methyliminomethyl)anthracen-2-yl]methanol
CID 57310667
1-anthracen-9-yl-N-(1,2,4-triazol-4-yl)methanimine
CID 760728
1-(anthracen-9-ylmethylideneamino)-7-(4-bromophenyl)heptane-2,6-dione
CID 148728950
4-hydroxybutyl (E)-3-anthracen-9-ylprop-2-enoate
CID 101205038
3-[(E)-[(E)-anthracen-9-ylmethylidenehydrazinylidene]methyl]naphthalen-2-ol
CID 135549556
3-(anthracen-9-ylmethylideneamino)phenol
CID 5140429
(anthracen-9-ylmethylideneamino)thiourea
CID 668113

Frequently Asked Questions

What is the IUPAC name of 3-(anthracen-9-ylmethylideneamino)propan-1-ol?
The IUPAC name of 3-(anthracen-9-ylmethylideneamino)propan-1-ol (CID 4598040) is 3-(anthracen-9-ylmethylideneamino)propan-1-ol.
What is the SMILES notation for 3-(anthracen-9-ylmethylideneamino)propan-1-ol?
The canonical SMILES for 3-(anthracen-9-ylmethylideneamino)propan-1-ol is OCCC/N=C/c1c2ccccc2cc2ccccc12.
What is the InChIKey of 3-(anthracen-9-ylmethylideneamino)propan-1-ol?
The InChIKey is CJYJAAWSACYFFJ-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H17NO/c20-11-5-10-19-13-18-16-8-3-1-6-14(16)12-15-7-2-4-9-17(15)18/h1-4,6-9,12-13,20H,5,10-11H2/b19-13+.
What are the key properties of 3-(anthracen-9-ylmethylideneamino)propan-1-ol?
3-(anthracen-9-ylmethylideneamino)propan-1-ol has a molecular weight of 263.34 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(anthracen-9-ylmethylideneamino)propan-1-ol is sourced from PubChem (CID 4598040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).