N-cyclobutyl-6-fluoro-7-(3-methoxypropoxy)-2-(3-methyloxetan-3-yl)-2H-chromen-4-amine

C21H28FNO4 — CID 156760214

IUPACN-cyclobutyl-6-fluoro-7-(3-methoxypropoxy)-2-(3-methyloxetan-3-yl)-2H-chromen-4-amine
SMILESCOCCCOc1cc2c(cc1F)C(NC1CCC1)=CC(C1(C)COC1)O2
InChIInChI=1S/C21H28FNO4/c1-21(12-25-13-21)20-10-17(23-14-5-3-6-14)15-9-16(22)19(11-18(15)27-20)26-8-4-7-24-2/h9-11,14,20,23H,3-8,12-13H2,1-2H3
InChIKeySRLBLZBHQWLXKV-UHFFFAOYSA-N
MW377.46 g/mol
LogP3.52
Rot. Bonds8

About N-cyclobutyl-6-fluoro-7-(3-methoxypropoxy)-2-(3-methyloxetan-3-yl)-2H-chromen-4-amine

N-cyclobutyl-6-fluoro-7-(3-methoxypropoxy)-2-(3-methyloxetan-3-yl)-2H-chromen-4-amine (PubChem CID 156760214) has the molecular formula C21H28FNO4 and a molecular weight of 377.46 g/mol. Its IUPAC name is N-cyclobutyl-6-fluoro-7-(3-methoxypropoxy)-2-(3-methyloxetan-3-yl)-2H-chromen-4-amine.

Molecular Properties

Compound NameN-cyclobutyl-6-fluoro-7-(3-methoxypropoxy)-2-(3-methyloxetan-3-yl)-2H-chromen-4-amine
PubChem CID156760214
Molecular FormulaC21H28FNO4
Molecular Weight377.46 g/mol
Exact Mass377.20
IUPAC NameN-cyclobutyl-6-fluoro-7-(3-methoxypropoxy)-2-(3-methyloxetan-3-yl)-2H-chromen-4-amine
SMILESCOCCCOc1cc2c(cc1F)C(NC1CCC1)=CC(C1(C)COC1)O2
InChIInChI=1S/C21H28FNO4/c1-21(12-25-13-21)20-10-17(23-14-5-3-6-14)15-9-16(22)19(11-18(15)27-20)26-8-4-7-24-2/h9-11,14,20,23H,3-8,12-13H2,1-2H3
InChIKeySRLBLZBHQWLXKV-UHFFFAOYSA-N
XLogP3.52
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-cyclopropyl-2-(3-methyloxetan-3-yl)-7-(2-trimethylsilylethoxymethoxy)-2H-chromen-4-amine
CID 172728052
N-cyclopropyl-2-ethyl-6-methoxy-7-(3-methoxypropoxy)-2H-chromen-4-amine
CID 156760203
6-chloro-N-cyclopropyl-7-(3-methoxypropoxy)-2-propan-2-yl-2H-chromen-4-amine
CID 156760227
(11E)-16-cyclobutyl-4-fluoro-5-(3-methoxypropoxy)-9-(3-methyloxetan-3-yl)-13-oxo-8-oxatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,11-pentaene-12-carboxylic acid
CID 166726019
N-cyclopropyl-6-methoxy-7-phenylmethoxy-2-propan-2-yl-2H-chromen-4-amine
CID 156760212
N-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine
CID 65084024
N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine
CID 54935637
6-fluoro-7-(3-methoxypropoxy)-1,1-dioxo-2-propan-2-yl-2,3-dihydrothiochromen-4-one
CID 155339799
1-[3-fluoro-4-(3-methoxypropoxy)phenyl]pyrrolidine
CID 168514292
4-fluoro-3-(3-methoxypropoxy)benzenethiol
CID 155339686
1-cyclohexyloxy-2-(3-methoxypropoxy)-4-methylbenzene
CID 59224001
N-[2-(2-methoxyethoxy)-4-methylphenyl]cycloheptanamine
CID 60934945

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-6-fluoro-7-(3-methoxypropoxy)-2-(3-methyloxetan-3-yl)-2H-chromen-4-amine?
The IUPAC name of N-cyclobutyl-6-fluoro-7-(3-methoxypropoxy)-2-(3-methyloxetan-3-yl)-2H-chromen-4-amine (CID 156760214) is N-cyclobutyl-6-fluoro-7-(3-methoxypropoxy)-2-(3-methyloxetan-3-yl)-2H-chromen-4-amine.
What is the SMILES notation for N-cyclobutyl-6-fluoro-7-(3-methoxypropoxy)-2-(3-methyloxetan-3-yl)-2H-chromen-4-amine?
The canonical SMILES for N-cyclobutyl-6-fluoro-7-(3-methoxypropoxy)-2-(3-methyloxetan-3-yl)-2H-chromen-4-amine is COCCCOc1cc2c(cc1F)C(NC1CCC1)=CC(C1(C)COC1)O2.
What is the InChIKey of N-cyclobutyl-6-fluoro-7-(3-methoxypropoxy)-2-(3-methyloxetan-3-yl)-2H-chromen-4-amine?
The InChIKey is SRLBLZBHQWLXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FNO4/c1-21(12-25-13-21)20-10-17(23-14-5-3-6-14)15-9-16(22)19(11-18(15)27-20)26-8-4-7-24-2/h9-11,14,20,23H,3-8,12-13H2,1-2H3.
What are the key properties of N-cyclobutyl-6-fluoro-7-(3-methoxypropoxy)-2-(3-methyloxetan-3-yl)-2H-chromen-4-amine?
N-cyclobutyl-6-fluoro-7-(3-methoxypropoxy)-2-(3-methyloxetan-3-yl)-2H-chromen-4-amine has a molecular weight of 377.46 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-6-fluoro-7-(3-methoxypropoxy)-2-(3-methyloxetan-3-yl)-2H-chromen-4-amine is sourced from PubChem (CID 156760214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).