N-[(4-fluorophenyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine

C17H24FNO — CID 102896687

IUPACN-[(4-fluorophenyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
SMILESFc1ccc(CNCC2CCC3(CCCCC3)O2)cc1
InChIInChI=1S/C17H24FNO/c18-15-6-4-14(5-7-15)12-19-13-16-8-11-17(20-16)9-2-1-3-10-17/h4-7,16,19H,1-3,8-13H2
InChIKeyPZHOAYGJNJXUSF-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.80
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine

N-[(4-fluorophenyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine (PubChem CID 102896687) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
PubChem CID102896687
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
SMILESFc1ccc(CNCC2CCC3(CCCCC3)O2)cc1
InChIInChI=1S/C17H24FNO/c18-15-6-4-14(5-7-15)12-19-13-16-8-11-17(20-16)9-2-1-3-10-17/h4-7,16,19H,1-3,8-13H2
InChIKeyPZHOAYGJNJXUSF-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylphenyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 102896721
1-(1-oxaspiro[4.5]decan-2-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 102896758
N-[(2,4-difluorophenyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 102897175
N-[(2-bromo-5-fluorophenyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 102896931
N-[(4-nitrophenyl)methyl]-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896886
[3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]phenyl]methanol
CID 107230384
N-[(5-ethylthiophen-2-yl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 106010999
N-[(2-methylphenyl)methyl]-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896894
N-[(2-methoxy-4-pyridinyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 102897255
N-[(2-bromophenyl)methyl]-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896978
2-chloro-4-fluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline
CID 102896790
N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896520

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine (CID 102896687) is N-[(4-fluorophenyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine is Fc1ccc(CNCC2CCC3(CCCCC3)O2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine?
The InChIKey is PZHOAYGJNJXUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c18-15-6-4-14(5-7-15)12-19-13-16-8-11-17(20-16)9-2-1-3-10-17/h4-7,16,19H,1-3,8-13H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine?
N-[(4-fluorophenyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine has a molecular weight of 277.38 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine is sourced from PubChem (CID 102896687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).