6-fluoro-2-[4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-amine

C18H27FN2O — CID 156837783

IUPAC6-fluoro-2-[4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOCC1CN(C2CCc3cc(F)ccc3C2N)CC1(C)C
InChIInChI=1S/C18H27FN2O/c1-18(2)11-21(9-13(18)10-22-3)16-7-4-12-8-14(19)5-6-15(12)17(16)20/h5-6,8,13,16-17H,4,7,9-11,20H2,1-3H3
InChIKeyHSCLHZHQINQNEM-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.74
Rot. Bonds3

About 6-fluoro-2-[4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-amine

6-fluoro-2-[4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 156837783) has the molecular formula C18H27FN2O and a molecular weight of 306.43 g/mol. Its IUPAC name is 6-fluoro-2-[4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name6-fluoro-2-[4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID156837783
Molecular FormulaC18H27FN2O
Molecular Weight306.43 g/mol
Exact Mass306.21
IUPAC Name6-fluoro-2-[4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOCC1CN(C2CCc3cc(F)ccc3C2N)CC1(C)C
InChIInChI=1S/C18H27FN2O/c1-18(2)11-21(9-13(18)10-22-3)16-7-4-12-8-14(19)5-6-15(12)17(16)20/h5-6,8,13,16-17H,4,7,9-11,20H2,1-3H3
InChIKeyHSCLHZHQINQNEM-UHFFFAOYSA-N
XLogP2.74
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 6-fluoro-2-[4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 156837783) is 6-fluoro-2-[4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 6-fluoro-2-[4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 6-fluoro-2-[4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-amine is COCC1CN(C2CCc3cc(F)ccc3C2N)CC1(C)C.
What is the InChIKey of 6-fluoro-2-[4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is HSCLHZHQINQNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O/c1-18(2)11-21(9-13(18)10-22-3)16-7-4-12-8-14(19)5-6-15(12)17(16)20/h5-6,8,13,16-17H,4,7,9-11,20H2,1-3H3.
What are the key properties of 6-fluoro-2-[4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
6-fluoro-2-[4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 306.43 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 156837783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).