2-[10-[3-(dimethylamino)propyl]anthracen-9-yl]ethyl acetate

C23H27NO2 — CID 1201739

IUPAC2-[10-[3-(dimethylamino)propyl]anthracen-9-yl]ethyl acetate
SMILESCC(=O)OCCc1c2ccccc2c(CCCN(C)C)c2ccccc12
InChIInChI=1S/C23H27NO2/c1-17(25)26-16-14-23-20-11-6-4-9-18(20)22(13-8-15-24(2)3)19-10-5-7-12-21(19)23/h4-7,9-12H,8,13-16H2,1-3H3
InChIKeyDMFAQYZDZCPCRD-UHFFFAOYSA-N
MW349.47 g/mol
LogP4.59
Rot. Bonds7

About 2-[10-[3-(dimethylamino)propyl]anthracen-9-yl]ethyl acetate

2-[10-[3-(dimethylamino)propyl]anthracen-9-yl]ethyl acetate (PubChem CID 1201739) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is 2-[10-[3-(dimethylamino)propyl]anthracen-9-yl]ethyl acetate.

Molecular Properties

Compound Name2-[10-[3-(dimethylamino)propyl]anthracen-9-yl]ethyl acetate
PubChem CID1201739
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name2-[10-[3-(dimethylamino)propyl]anthracen-9-yl]ethyl acetate
SMILESCC(=O)OCCc1c2ccccc2c(CCCN(C)C)c2ccccc12
InChIInChI=1S/C23H27NO2/c1-17(25)26-16-14-23-20-11-6-4-9-18(20)22(13-8-15-24(2)3)19-10-5-7-12-21(19)23/h4-7,9-12H,8,13-16H2,1-3H3
InChIKeyDMFAQYZDZCPCRD-UHFFFAOYSA-N
XLogP4.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-3-(10-methylanthracen-9-yl)propan-1-amine
CID 170865143
N,N-dimethylmethanamine;2-phenylethyl acetate
CID 67859846
2-(2-amino-4-phenylmethoxynaphthalen-1-yl)ethyl acetate
CID 11232944
2-naphthalen-1-ylethyl acetate
CID 592920
2-[2-(2-acetyloxyethoxy)phenoxy]ethyl acetate
CID 6421422
2-phenylethyl acetate
CID 7654
4-(2-methylphenyl)butyl acetate
CID 145430143
4-(N-phenylanilino)butyl acetate
CID 2782353
2-naphthalen-1-yloxyethyl acetate
CID 23049663
acetic acid;2-phenylethyl acetate
CID 174791962
2-(2-pentyl-1H-indol-3-yl)ethyl acetate
CID 11054855
3-(2-methoxynaphthalen-1-yl)-N,N-dimethylpropan-1-amine
CID 170865305

Frequently Asked Questions

What is the IUPAC name of 2-[10-[3-(dimethylamino)propyl]anthracen-9-yl]ethyl acetate?
The IUPAC name of 2-[10-[3-(dimethylamino)propyl]anthracen-9-yl]ethyl acetate (CID 1201739) is 2-[10-[3-(dimethylamino)propyl]anthracen-9-yl]ethyl acetate.
What is the SMILES notation for 2-[10-[3-(dimethylamino)propyl]anthracen-9-yl]ethyl acetate?
The canonical SMILES for 2-[10-[3-(dimethylamino)propyl]anthracen-9-yl]ethyl acetate is CC(=O)OCCc1c2ccccc2c(CCCN(C)C)c2ccccc12.
What is the InChIKey of 2-[10-[3-(dimethylamino)propyl]anthracen-9-yl]ethyl acetate?
The InChIKey is DMFAQYZDZCPCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-17(25)26-16-14-23-20-11-6-4-9-18(20)22(13-8-15-24(2)3)19-10-5-7-12-21(19)23/h4-7,9-12H,8,13-16H2,1-3H3.
What are the key properties of 2-[10-[3-(dimethylamino)propyl]anthracen-9-yl]ethyl acetate?
2-[10-[3-(dimethylamino)propyl]anthracen-9-yl]ethyl acetate has a molecular weight of 349.47 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-[3-(dimethylamino)propyl]anthracen-9-yl]ethyl acetate is sourced from PubChem (CID 1201739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).