1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-fluorophenyl]-N-methylmethanamine

C18H27FN2 — CID 107454972

IUPAC1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(CN2CCC3(CCCC3)CC2)c1
InChIInChI=1S/C18H27FN2/c1-20-13-15-4-5-17(19)16(12-15)14-21-10-8-18(9-11-21)6-2-3-7-18/h4-5,12,20H,2-3,6-11,13-14H2,1H3
InChIKeyOBMJVHJPCWGOCK-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.70
Rot. Bonds4

About 1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-fluorophenyl]-N-methylmethanamine

1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-fluorophenyl]-N-methylmethanamine (PubChem CID 107454972) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-fluorophenyl]-N-methylmethanamine
PubChem CID107454972
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Name1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(CN2CCC3(CCCC3)CC2)c1
InChIInChI=1S/C18H27FN2/c1-20-13-15-4-5-17(19)16(12-15)14-21-10-8-18(9-11-21)6-2-3-7-18/h4-5,12,20H,2-3,6-11,13-14H2,1H3
InChIKeyOBMJVHJPCWGOCK-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Fluorobenzyl)piperazine
CID 903813
1-(4-Fluorobenzyl)piperazine
CID 796563
3-Methylbenzylpiperazine
CID 79213
4-(4-Fluorobenzylamino)-1-methylpiperidine
CID 2846645
(1-Benzyl-4-phenylpiperidin-4-yl)methanamine
CID 804238
1-Benzyl-N-(2-cyclopentylidene-2-fluoroethyl)-4-piperidinamine
CID 23646086
(2-Cyclohexylidene-2-fluoroethyl)({[3-(trifluoromethyl)phenyl]methyl})amine
CID 23646095
(3,5-Bis-trifluoromethyl-benzyl)-(4-phenyl-piperidin-4-ylmethyl)-amine
CID 10837362
N-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-amine
CID 781972
1-(3-(Trifluoromethyl)benzyl)piperazine
CID 2060855
1-(2-Fluorobenzyl)piperazine
CID 796168
Benzyl(2-cyclopentylidene-2-fluoroethyl)amine
CID 23646081

Frequently Asked Questions

What is the IUPAC name of 1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-fluorophenyl]-N-methylmethanamine (CID 107454972) is 1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-fluorophenyl]-N-methylmethanamine is CNCc1ccc(F)c(CN2CCC3(CCCC3)CC2)c1.
What is the InChIKey of 1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-fluorophenyl]-N-methylmethanamine?
The InChIKey is OBMJVHJPCWGOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-20-13-15-4-5-17(19)16(12-15)14-21-10-8-18(9-11-21)6-2-3-7-18/h4-5,12,20H,2-3,6-11,13-14H2,1H3.
What are the key properties of 1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-fluorophenyl]-N-methylmethanamine?
1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-fluorophenyl]-N-methylmethanamine has a molecular weight of 290.43 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 107454972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).