(2-amino-7-methoxy-9H-fluoren-9-yl)methyl acetate

C17H17NO3 — CID 90974538

IUPAC(2-amino-7-methoxy-9H-fluoren-9-yl)methyl acetate
SMILESCOc1ccc2c(c1)C(COC(C)=O)c1cc(N)ccc1-2
InChIInChI=1S/C17H17NO3/c1-10(19)21-9-17-15-7-11(18)3-5-13(15)14-6-4-12(20-2)8-16(14)17/h3-8,17H,9,18H2,1-2H3
InChIKeyMHPVHYNSZCSDHR-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.95
Rot. Bonds3

About (2-amino-7-methoxy-9H-fluoren-9-yl)methyl acetate

(2-amino-7-methoxy-9H-fluoren-9-yl)methyl acetate (PubChem CID 90974538) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (2-amino-7-methoxy-9H-fluoren-9-yl)methyl acetate.

Molecular Properties

Compound Name(2-amino-7-methoxy-9H-fluoren-9-yl)methyl acetate
PubChem CID90974538
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(2-amino-7-methoxy-9H-fluoren-9-yl)methyl acetate
SMILESCOc1ccc2c(c1)C(COC(C)=O)c1cc(N)ccc1-2
InChIInChI=1S/C17H17NO3/c1-10(19)21-9-17-15-7-11(18)3-5-13(15)14-6-4-12(20-2)8-16(14)17/h3-8,17H,9,18H2,1-2H3
InChIKeyMHPVHYNSZCSDHR-UHFFFAOYSA-N
XLogP2.95
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.95
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

9H-fluoren-9-ylmethyl acetate;2-methoxy-9-methyl-9H-xanthene
CID 91286921
1,1-diphenylethylbenzene;1-ethyl-4-methoxybenzene;9H-fluoren-9-ylmethyl acetate
CID 91382042
9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)methyl]carbamate
CID 57188934
9H-fluoren-9-ylmethyl 2-amino-2-(2,4-dimethoxyphenyl)-2-phenylacetate
CID 141038963
9H-fluoren-9-ylmethyl (4-methoxyphenyl)methyl carbonate
CID 173166332
(2-(18F)fluoro-5-methoxyphenyl)methyl acetate
CID 156599512
2,7,9-trimethoxy-9H-fluorene
CID 155898925
[2-[4-(4-hydroxybutoxy)butanoyl]-7-[4-(3-methoxypropoxy)butanoyl]-9H-fluoren-9-yl]methyl acetate
CID 158924255
2-(9H-fluoren-9-ylmethoxycarbonyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 52982914
(2-acetyloxy-5-methoxyphenyl)methyl acetate
CID 14531143
9H-fluoren-9-ylmethyl N-[[2-[3-(hydroxymethyl)phenyl]-5-methoxyphenyl]methyl]carbamate
CID 135353911
[(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propyl] acetate
CID 97294827

Frequently Asked Questions

What is the IUPAC name of (2-amino-7-methoxy-9H-fluoren-9-yl)methyl acetate?
The IUPAC name of (2-amino-7-methoxy-9H-fluoren-9-yl)methyl acetate (CID 90974538) is (2-amino-7-methoxy-9H-fluoren-9-yl)methyl acetate.
What is the SMILES notation for (2-amino-7-methoxy-9H-fluoren-9-yl)methyl acetate?
The canonical SMILES for (2-amino-7-methoxy-9H-fluoren-9-yl)methyl acetate is COc1ccc2c(c1)C(COC(C)=O)c1cc(N)ccc1-2.
What is the InChIKey of (2-amino-7-methoxy-9H-fluoren-9-yl)methyl acetate?
The InChIKey is MHPVHYNSZCSDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-10(19)21-9-17-15-7-11(18)3-5-13(15)14-6-4-12(20-2)8-16(14)17/h3-8,17H,9,18H2,1-2H3.
What are the key properties of (2-amino-7-methoxy-9H-fluoren-9-yl)methyl acetate?
(2-amino-7-methoxy-9H-fluoren-9-yl)methyl acetate has a molecular weight of 283.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-7-methoxy-9H-fluoren-9-yl)methyl acetate is sourced from PubChem (CID 90974538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).