1-(4-fluorophenyl)-2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine

C17H22FNO — CID 115652954

IUPAC1-(4-fluorophenyl)-2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine
SMILESCc1ccoc1CNC(c1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C17H22FNO/c1-12-9-10-20-15(12)11-19-16(17(2,3)4)13-5-7-14(18)8-6-13/h5-10,16,19H,11H2,1-4H3
InChIKeyGVKGOASBNQZKOX-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.60
Rot. Bonds4

About 1-(4-fluorophenyl)-2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine

1-(4-fluorophenyl)-2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine (PubChem CID 115652954) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine
PubChem CID115652954
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC Name1-(4-fluorophenyl)-2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine
SMILESCc1ccoc1CNC(c1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C17H22FNO/c1-12-9-10-20-15(12)11-19-16(17(2,3)4)13-5-7-14(18)8-6-13/h5-10,16,19H,11H2,1-4H3
InChIKeyGVKGOASBNQZKOX-UHFFFAOYSA-N
XLogP4.60
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115749342
2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenol
CID 43735061
[4-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenyl]methanol
CID 110009379
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 63446121
N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 43433338
1-(4-fluorophenyl)-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine
CID 62329574
1-(4-fluorophenyl)-2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 115633725
(1R)-1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]ethanamine
CID 114985843
N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)propan-1-amine
CID 115651392
2,4-difluoro-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115977103
2-[(3-methylfuran-2-yl)methylamino]propan-1-ol
CID 115656397
1-(4-fluorophenyl)-2,2-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine
CID 119127152

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine (CID 115652954) is 1-(4-fluorophenyl)-2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine is Cc1ccoc1CNC(c1ccc(F)cc1)C(C)(C)C.
What is the InChIKey of 1-(4-fluorophenyl)-2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine?
The InChIKey is GVKGOASBNQZKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c1-12-9-10-20-15(12)11-19-16(17(2,3)4)13-5-7-14(18)8-6-13/h5-10,16,19H,11H2,1-4H3.
What are the key properties of 1-(4-fluorophenyl)-2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine?
1-(4-fluorophenyl)-2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine has a molecular weight of 275.37 g/mol, XLogP of 4.60, 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-[(3-methylfuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 115652954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).