9-(2-methoxyanthracen-9-yl)oxynonan-1-amine

C24H31NO2 — CID 21280841

IUPAC9-(2-methoxyanthracen-9-yl)oxynonan-1-amine
SMILESCOc1ccc2cc3ccccc3c(OCCCCCCCCCN)c2c1
InChIInChI=1S/C24H31NO2/c1-26-21-14-13-20-17-19-11-7-8-12-22(19)24(23(20)18-21)27-16-10-6-4-2-3-5-9-15-25/h7-8,11-14,17-18H,2-6,9-10,15-16,25H2,1H3
InChIKeyHKBWDHXEULIGBJ-UHFFFAOYSA-N
MW365.52 g/mol
LogP6.07
Rot. Bonds11

About 9-(2-methoxyanthracen-9-yl)oxynonan-1-amine

9-(2-methoxyanthracen-9-yl)oxynonan-1-amine (PubChem CID 21280841) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 9-(2-methoxyanthracen-9-yl)oxynonan-1-amine.

Molecular Properties

Compound Name9-(2-methoxyanthracen-9-yl)oxynonan-1-amine
PubChem CID21280841
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name9-(2-methoxyanthracen-9-yl)oxynonan-1-amine
SMILESCOc1ccc2cc3ccccc3c(OCCCCCCCCCN)c2c1
InChIInChI=1S/C24H31NO2/c1-26-21-14-13-20-17-19-11-7-8-12-22(19)24(23(20)18-21)27-16-10-6-4-2-3-5-9-15-25/h7-8,11-14,17-18H,2-6,9-10,15-16,25H2,1H3
InChIKeyHKBWDHXEULIGBJ-UHFFFAOYSA-N
XLogP6.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-anthracen-9-yloxybutan-1-amine
CID 14373236
3-(2,7-dimethoxyacridin-9-yl)oxypropan-1-amine
CID 53475922
12-(1-methylanthracen-9-yl)oxydodecan-1-amine
CID 21280835
8-(4-methoxyphenoxy)octan-1-amine
CID 90318886
3-anthracen-9-yloxypropan-1-amine;sulfuric acid
CID 21280798
9-(9-chlorononoxy)anthracene
CID 21280847
9-bromo-2-methoxyanthracene
CID 11011618
9-chloro-2-methoxyanthracene
CID 139968553
4-(2,7-dimethoxynaphthalen-1-yl)butan-1-amine
CID 117402236
3-(6-methoxy-3-methyl-4-phenylisoquinolin-1-yl)oxypropan-1-amine;dihydrochloride
CID 173089726
3-(3-methoxycarbazol-9-yl)propan-1-amine
CID 153297207
2-[4-methoxy-2-(2-naphthalen-2-yloxyethoxy)phenyl]ethanamine
CID 20984431

Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxyanthracen-9-yl)oxynonan-1-amine?
The IUPAC name of 9-(2-methoxyanthracen-9-yl)oxynonan-1-amine (CID 21280841) is 9-(2-methoxyanthracen-9-yl)oxynonan-1-amine.
What is the SMILES notation for 9-(2-methoxyanthracen-9-yl)oxynonan-1-amine?
The canonical SMILES for 9-(2-methoxyanthracen-9-yl)oxynonan-1-amine is COc1ccc2cc3ccccc3c(OCCCCCCCCCN)c2c1.
What is the InChIKey of 9-(2-methoxyanthracen-9-yl)oxynonan-1-amine?
The InChIKey is HKBWDHXEULIGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2/c1-26-21-14-13-20-17-19-11-7-8-12-22(19)24(23(20)18-21)27-16-10-6-4-2-3-5-9-15-25/h7-8,11-14,17-18H,2-6,9-10,15-16,25H2,1H3.
What are the key properties of 9-(2-methoxyanthracen-9-yl)oxynonan-1-amine?
9-(2-methoxyanthracen-9-yl)oxynonan-1-amine has a molecular weight of 365.52 g/mol, XLogP of 6.07, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxyanthracen-9-yl)oxynonan-1-amine is sourced from PubChem (CID 21280841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).