1-(4-fluorophenyl)-2,2-dimethyl-N-(oxan-4-ylmethyl)propan-1-amine

C17H26FNO — CID 62386506

IUPAC1-(4-fluorophenyl)-2,2-dimethyl-N-(oxan-4-ylmethyl)propan-1-amine
SMILESCC(C)(C)C(NCC1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C17H26FNO/c1-17(2,3)16(14-4-6-15(18)7-5-14)19-12-13-8-10-20-11-9-13/h4-7,13,16,19H,8-12H2,1-3H3
InChIKeyCAQOJPFTCLHPLV-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.93
Rot. Bonds4

About 1-(4-fluorophenyl)-2,2-dimethyl-N-(oxan-4-ylmethyl)propan-1-amine

1-(4-fluorophenyl)-2,2-dimethyl-N-(oxan-4-ylmethyl)propan-1-amine (PubChem CID 62386506) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2,2-dimethyl-N-(oxan-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2,2-dimethyl-N-(oxan-4-ylmethyl)propan-1-amine
PubChem CID62386506
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name1-(4-fluorophenyl)-2,2-dimethyl-N-(oxan-4-ylmethyl)propan-1-amine
SMILESCC(C)(C)C(NCC1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C17H26FNO/c1-17(2,3)16(14-4-6-15(18)7-5-14)19-12-13-8-10-20-11-9-13/h4-7,13,16,19H,8-12H2,1-3H3
InChIKeyCAQOJPFTCLHPLV-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-[2,2-diethyl-4-(4-fluorophenyl)oxan-4-yl]ethanamine
CID 72711948
(1R)-N-[2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethyl]-1-phenylethanamine
CID 72711954
(1S)-N-[2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethyl]-1-phenylethanamine
CID 72712149
N-(1-phenylcyclohexyl)-3-ethoxypropanamine
CID 23584939
2-(4-benzyl-2,2-dimethyloxan-4-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 2938065
N-benzyl-2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine
CID 68314329
2-(2,2-dimethyl-4-phenyloxan-4-yl)-N-[(2-fluorophenyl)methyl]ethanamine
CID 2937474
N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]oxan-4-amine
CID 153338521
US11214540, Example 66
CID 155139308
2-(2-ethyl-4-(4-fluorophenyl)-2-methyltetrahydro-2H-pyran-4-yl)-N-(4-fluorobenzyl)ethanamine
CID 3132849
N-benzyl-2,2-dimethyltetrahydro-2H-pyran-4-amine
CID 2871810
N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]oxan-4-amine
CID 153338531

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2,2-dimethyl-N-(oxan-4-ylmethyl)propan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-2,2-dimethyl-N-(oxan-4-ylmethyl)propan-1-amine (CID 62386506) is 1-(4-fluorophenyl)-2,2-dimethyl-N-(oxan-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-2,2-dimethyl-N-(oxan-4-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-2,2-dimethyl-N-(oxan-4-ylmethyl)propan-1-amine is CC(C)(C)C(NCC1CCOCC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2,2-dimethyl-N-(oxan-4-ylmethyl)propan-1-amine?
The InChIKey is CAQOJPFTCLHPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-17(2,3)16(14-4-6-15(18)7-5-14)19-12-13-8-10-20-11-9-13/h4-7,13,16,19H,8-12H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-2,2-dimethyl-N-(oxan-4-ylmethyl)propan-1-amine?
1-(4-fluorophenyl)-2,2-dimethyl-N-(oxan-4-ylmethyl)propan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2,2-dimethyl-N-(oxan-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 62386506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).