N-[(5-fluoro-2-methoxyphenyl)methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine

C18H18FNO — CID 175152441

IUPACN-[(5-fluoro-2-methoxyphenyl)methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine
SMILESCOc1ccc(F)cc1CNC1C2Cc3ccccc3C21
InChIInChI=1S/C18H18FNO/c1-21-16-7-6-13(19)8-12(16)10-20-18-15-9-11-4-2-3-5-14(11)17(15)18/h2-8,15,17-18,20H,9-10H2,1H3
InChIKeyLVOYTYVDOYIMMB-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.26
Rot. Bonds4

About N-[(5-fluoro-2-methoxyphenyl)methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine

N-[(5-fluoro-2-methoxyphenyl)methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine (PubChem CID 175152441) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is N-[(5-fluoro-2-methoxyphenyl)methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methoxyphenyl)methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine
PubChem CID175152441
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC NameN-[(5-fluoro-2-methoxyphenyl)methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine
SMILESCOc1ccc(F)cc1CNC1C2Cc3ccccc3C21
InChIInChI=1S/C18H18FNO/c1-21-16-7-6-13(19)8-12(16)10-20-18-15-9-11-4-2-3-5-14(11)17(15)18/h2-8,15,17-18,20H,9-10H2,1H3
InChIKeyLVOYTYVDOYIMMB-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methoxyphenyl)methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine?
The IUPAC name of N-[(5-fluoro-2-methoxyphenyl)methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine (CID 175152441) is N-[(5-fluoro-2-methoxyphenyl)methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine.
What is the SMILES notation for N-[(5-fluoro-2-methoxyphenyl)methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine?
The canonical SMILES for N-[(5-fluoro-2-methoxyphenyl)methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine is COc1ccc(F)cc1CNC1C2Cc3ccccc3C21.
What is the InChIKey of N-[(5-fluoro-2-methoxyphenyl)methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine?
The InChIKey is LVOYTYVDOYIMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c1-21-16-7-6-13(19)8-12(16)10-20-18-15-9-11-4-2-3-5-14(11)17(15)18/h2-8,15,17-18,20H,9-10H2,1H3.
What are the key properties of N-[(5-fluoro-2-methoxyphenyl)methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine?
N-[(5-fluoro-2-methoxyphenyl)methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine has a molecular weight of 283.35 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methoxyphenyl)methyl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine is sourced from PubChem (CID 175152441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).