2-(2-amino-4-phenylmethoxynaphthalen-1-yl)ethyl acetate

C21H21NO3 — CID 11232944

IUPAC2-(2-amino-4-phenylmethoxynaphthalen-1-yl)ethyl acetate
SMILESCC(=O)OCCc1c(N)cc(OCc2ccccc2)c2ccccc12
InChIInChI=1S/C21H21NO3/c1-15(23)24-12-11-18-17-9-5-6-10-19(17)21(13-20(18)22)25-14-16-7-3-2-4-8-16/h2-10,13H,11-12,14,22H2,1H3
InChIKeyXQKULUQJFSCMRX-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.11
Rot. Bonds6

About 2-(2-amino-4-phenylmethoxynaphthalen-1-yl)ethyl acetate

2-(2-amino-4-phenylmethoxynaphthalen-1-yl)ethyl acetate (PubChem CID 11232944) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-(2-amino-4-phenylmethoxynaphthalen-1-yl)ethyl acetate.

Molecular Properties

Compound Name2-(2-amino-4-phenylmethoxynaphthalen-1-yl)ethyl acetate
PubChem CID11232944
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name2-(2-amino-4-phenylmethoxynaphthalen-1-yl)ethyl acetate
SMILESCC(=O)OCCc1c(N)cc(OCc2ccccc2)c2ccccc12
InChIInChI=1S/C21H21NO3/c1-15(23)24-12-11-18-17-9-5-6-10-19(17)21(13-20(18)22)25-14-16-7-3-2-4-8-16/h2-10,13H,11-12,14,22H2,1H3
InChIKeyXQKULUQJFSCMRX-UHFFFAOYSA-N
XLogP4.11
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenylethyl acetate
CID 7654
acetic acid;2-phenylethyl acetate
CID 174791962
2-[10-[3-(dimethylamino)propyl]anthracen-9-yl]ethyl acetate
CID 1201739
benzyl acetate
CID 8785
2-[2-(ethylaminomethyl)-3-phenyl-4-phenylmethoxy-6-(trifluoromethyl)phenyl]ethyl acetate
CID 174607844
N,N-dimethylmethanamine;2-phenylethyl acetate
CID 67859846
2-(2-formyl-4-phenylmethoxyphenoxy)ethyl acetate
CID 150506758
8-methyl-4-phenylmethoxynaphthalene-2-carboxylic acid
CID 118562139
methyl 1-phenyl-4-phenylmethoxynaphthalene-2-carboxylate
CID 147669047
(1-iodo-4-phenylmethoxynaphthalen-2-yl) carbamate
CID 175264172
2-[2-(2-acetyloxyethoxy)phenoxy]ethyl acetate
CID 6421422
benzyl acetate;molecular nitrogen
CID 174861862

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-phenylmethoxynaphthalen-1-yl)ethyl acetate?
The IUPAC name of 2-(2-amino-4-phenylmethoxynaphthalen-1-yl)ethyl acetate (CID 11232944) is 2-(2-amino-4-phenylmethoxynaphthalen-1-yl)ethyl acetate.
What is the SMILES notation for 2-(2-amino-4-phenylmethoxynaphthalen-1-yl)ethyl acetate?
The canonical SMILES for 2-(2-amino-4-phenylmethoxynaphthalen-1-yl)ethyl acetate is CC(=O)OCCc1c(N)cc(OCc2ccccc2)c2ccccc12.
What is the InChIKey of 2-(2-amino-4-phenylmethoxynaphthalen-1-yl)ethyl acetate?
The InChIKey is XQKULUQJFSCMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-15(23)24-12-11-18-17-9-5-6-10-19(17)21(13-20(18)22)25-14-16-7-3-2-4-8-16/h2-10,13H,11-12,14,22H2,1H3.
What are the key properties of 2-(2-amino-4-phenylmethoxynaphthalen-1-yl)ethyl acetate?
2-(2-amino-4-phenylmethoxynaphthalen-1-yl)ethyl acetate has a molecular weight of 335.40 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-phenylmethoxynaphthalen-1-yl)ethyl acetate is sourced from PubChem (CID 11232944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).