[2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-fluorophenyl]methanamine

C18H27FN2 — CID 64769291

IUPAC[2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)cc1CN1CCC2(CCCCC2)CC1
InChIInChI=1S/C18H27FN2/c19-17-5-4-15(13-20)16(12-17)14-21-10-8-18(9-11-21)6-2-1-3-7-18/h4-5,12H,1-3,6-11,13-14,20H2
InChIKeyCDXWQOHUABWBJB-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.83
Rot. Bonds3

About [2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-fluorophenyl]methanamine

[2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-fluorophenyl]methanamine (PubChem CID 64769291) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is [2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-fluorophenyl]methanamine
PubChem CID64769291
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Name[2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)cc1CN1CCC2(CCCCC2)CC1
InChIInChI=1S/C18H27FN2/c19-17-5-4-15(13-20)16(12-17)14-21-10-8-18(9-11-21)6-2-1-3-7-18/h4-5,12H,1-3,6-11,13-14,20H2
InChIKeyCDXWQOHUABWBJB-UHFFFAOYSA-N
XLogP3.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine
CID 64768327
[3-(3-azaspiro[5.5]undecan-3-ylmethyl)-2-fluorophenyl]methanamine
CID 107113370
[5-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 63288576
[4-fluoro-2-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 64769681
[4-fluoro-2-[(4-propan-2-ylazepan-1-yl)methyl]phenyl]methanamine
CID 64763360
[2-(1,3-dihydroisoindol-2-ylmethyl)-4-fluorophenyl]methanamine
CID 64769111
4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-methoxyaniline
CID 107208413
[3-(3-azaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanamine
CID 62930470
[2-(3-azaspiro[5.5]undecan-3-ylmethyl)furan-3-yl]methanamine
CID 62930301
3-(3-azaspiro[5.5]undecan-3-ylmethyl)-5-fluoroaniline
CID 115980050
[5-fluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methanamine
CID 103494258
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876

Frequently Asked Questions

What is the IUPAC name of [2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-fluorophenyl]methanamine?
The IUPAC name of [2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-fluorophenyl]methanamine (CID 64769291) is [2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-fluorophenyl]methanamine.
What is the SMILES notation for [2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-fluorophenyl]methanamine?
The canonical SMILES for [2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-fluorophenyl]methanamine is NCc1ccc(F)cc1CN1CCC2(CCCCC2)CC1.
What is the InChIKey of [2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-fluorophenyl]methanamine?
The InChIKey is CDXWQOHUABWBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c19-17-5-4-15(13-20)16(12-17)14-21-10-8-18(9-11-21)6-2-1-3-7-18/h4-5,12H,1-3,6-11,13-14,20H2.
What are the key properties of [2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-fluorophenyl]methanamine?
[2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-fluorophenyl]methanamine has a molecular weight of 290.43 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-fluorophenyl]methanamine is sourced from PubChem (CID 64769291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).