N-(3-fluoro-4-methoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C14H19FN2O — CID 82853624

IUPACN-(3-fluoro-4-methoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCOc1ccc(NC2CCN3CCCC23)cc1F
InChIInChI=1S/C14H19FN2O/c1-18-14-5-4-10(9-11(14)15)16-12-6-8-17-7-2-3-13(12)17/h4-5,9,12-13,16H,2-3,6-8H2,1H3
InChIKeyNDMVDICFHURFAG-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.48
Rot. Bonds3

About N-(3-fluoro-4-methoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-(3-fluoro-4-methoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 82853624) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID82853624
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCOc1ccc(NC2CCN3CCCC23)cc1F
InChIInChI=1S/C14H19FN2O/c1-18-14-5-4-10(9-11(14)15)16-12-6-8-17-7-2-3-13(12)17/h4-5,9,12-13,16H,2-3,6-8H2,1H3
InChIKeyNDMVDICFHURFAG-UHFFFAOYSA-N
XLogP2.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluoro-4-methoxyphenyl)-1-methylazepan-4-amine
CID 65070158
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853733
1-N-(3-fluoro-4-methoxyphenyl)cyclopentane-1,2-diamine
CID 115117101
N-(3-chloro-4-ethoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853996
N-(2,4-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline
CID 64762784
N-(3-fluoro-4-methoxyphenyl)cycloheptanamine
CID 43380636
N-(3,4-dichlorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853706
3-fluoro-4-methoxy-N-(4-methylcyclohexyl)aniline
CID 43380637
N-(2,6-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline
CID 43380623
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 81345182
N-(4-bromophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853442
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methylbenzene-1,4-diamine
CID 54968305

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 82853624) is N-(3-fluoro-4-methoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is COc1ccc(NC2CCN3CCCC23)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is NDMVDICFHURFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-18-14-5-4-10(9-11(14)15)16-12-6-8-17-7-2-3-13(12)17/h4-5,9,12-13,16H,2-3,6-8H2,1H3.
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-(3-fluoro-4-methoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 250.32 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 82853624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).