N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-8-methoxy-3,4-dihydro-2H-chromen-3-amine

C20H24FN3O2 — CID 75099786

IUPACN-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-8-methoxy-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1cccc2c1OCC(NCC1CNNC1c1cccc(F)c1)C2
InChIInChI=1S/C20H24FN3O2/c1-25-18-7-3-5-14-9-17(12-26-20(14)18)22-10-15-11-23-24-19(15)13-4-2-6-16(21)8-13/h2-8,15,17,19,22-24H,9-12H2,1H3
InChIKeyUJQAUXZRJWZXGB-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.19
Rot. Bonds5

About N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-8-methoxy-3,4-dihydro-2H-chromen-3-amine

N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-8-methoxy-3,4-dihydro-2H-chromen-3-amine (PubChem CID 75099786) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-8-methoxy-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound NameN-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-8-methoxy-3,4-dihydro-2H-chromen-3-amine
PubChem CID75099786
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC NameN-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-8-methoxy-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1cccc2c1OCC(NCC1CNNC1c1cccc(F)c1)C2
InChIInChI=1S/C20H24FN3O2/c1-25-18-7-3-5-14-9-17(12-26-20(14)18)22-10-15-11-23-24-19(15)13-4-2-6-16(21)8-13/h2-8,15,17,19,22-24H,9-12H2,1H3
InChIKeyUJQAUXZRJWZXGB-UHFFFAOYSA-N
XLogP2.19
TPSA54.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

8-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 45249546
4-methoxy-2-[[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]methyl]phenol
CID 45219852
(3S)-N-(1H-benzimidazol-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromen-3-amine
CID 31017822
8-methoxy-N-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-3-amine
CID 45249758
3-[2-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]amino]ethyl]-1,3-oxazolidin-2-one
CID 42241202
3-[[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]methyl]-1-methylquinolin-2-one
CID 131900980
8-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine
CID 86806743
(3S)-8-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine
CID 99778884
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]ethanesulfonamide
CID 93072784
(3S)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-8-methoxy-3,4-dihydro-2H-chromen-3-amine
CID 92693113
(3R)-8-methoxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-chromen-3-amine
CID 28851098
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrimidin-2-amine
CID 56824753

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-8-methoxy-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-8-methoxy-3,4-dihydro-2H-chromen-3-amine (CID 75099786) is N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-8-methoxy-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-8-methoxy-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-8-methoxy-3,4-dihydro-2H-chromen-3-amine is COc1cccc2c1OCC(NCC1CNNC1c1cccc(F)c1)C2.
What is the InChIKey of N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-8-methoxy-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is UJQAUXZRJWZXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-25-18-7-3-5-14-9-17(12-26-20(14)18)22-10-15-11-23-24-19(15)13-4-2-6-16(21)8-13/h2-8,15,17,19,22-24H,9-12H2,1H3.
What are the key properties of N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-8-methoxy-3,4-dihydro-2H-chromen-3-amine?
N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-8-methoxy-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 357.43 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-8-methoxy-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 75099786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).