1-(2-fluoro-6-methoxyphenyl)-N-propylhex-4-yn-1-amine

C16H22FNO — CID 104806958

IUPAC1-(2-fluoro-6-methoxyphenyl)-N-propylhex-4-yn-1-amine
SMILESCC#CCCC(NCCC)c1c(F)cccc1OC
InChIInChI=1S/C16H22FNO/c1-4-6-7-10-14(18-12-5-2)16-13(17)9-8-11-15(16)19-3/h8-9,11,14,18H,5,7,10,12H2,1-3H3
InChIKeyCRWWNJJVJGSHSZ-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.68
Rot. Bonds7

About 1-(2-fluoro-6-methoxyphenyl)-N-propylhex-4-yn-1-amine

1-(2-fluoro-6-methoxyphenyl)-N-propylhex-4-yn-1-amine (PubChem CID 104806958) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-(2-fluoro-6-methoxyphenyl)-N-propylhex-4-yn-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-6-methoxyphenyl)-N-propylhex-4-yn-1-amine
PubChem CID104806958
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name1-(2-fluoro-6-methoxyphenyl)-N-propylhex-4-yn-1-amine
SMILESCC#CCCC(NCCC)c1c(F)cccc1OC
InChIInChI=1S/C16H22FNO/c1-4-6-7-10-14(18-12-5-2)16-13(17)9-8-11-15(16)19-3/h8-9,11,14,18H,5,7,10,12H2,1-3H3
InChIKeyCRWWNJJVJGSHSZ-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyphenyl)-N-propylhex-4-yn-1-amine
CID 113455163
1-(2-fluoro-6-methoxyphenyl)hex-4-yn-1-amine
CID 104806950
1-(2,6-difluorophenyl)-N-propylpent-3-yn-1-amine
CID 79522889
1-(2,6-dimethoxyphenyl)-N-propylhex-5-yn-1-amine
CID 105034069
1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 116810352
N-[1-(2-fluoro-6-methoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83182367
1-(2-chloro-6-fluorophenyl)-N-ethylhex-4-yn-1-amine
CID 105037136
1-(3,4-difluorophenyl)-N-propylhex-4-yn-1-amine
CID 104804644
1-(2,6-dimethoxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 116810349
1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
CID 102928630
1-(6-methoxypyridazin-3-yl)-N-propylhex-4-yn-1-amine
CID 103374819
N-[1-(2,6-dimethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 116810465

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-N-propylhex-4-yn-1-amine?
The IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-N-propylhex-4-yn-1-amine (CID 104806958) is 1-(2-fluoro-6-methoxyphenyl)-N-propylhex-4-yn-1-amine.
What is the SMILES notation for 1-(2-fluoro-6-methoxyphenyl)-N-propylhex-4-yn-1-amine?
The canonical SMILES for 1-(2-fluoro-6-methoxyphenyl)-N-propylhex-4-yn-1-amine is CC#CCCC(NCCC)c1c(F)cccc1OC.
What is the InChIKey of 1-(2-fluoro-6-methoxyphenyl)-N-propylhex-4-yn-1-amine?
The InChIKey is CRWWNJJVJGSHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-4-6-7-10-14(18-12-5-2)16-13(17)9-8-11-15(16)19-3/h8-9,11,14,18H,5,7,10,12H2,1-3H3.
What are the key properties of 1-(2-fluoro-6-methoxyphenyl)-N-propylhex-4-yn-1-amine?
1-(2-fluoro-6-methoxyphenyl)-N-propylhex-4-yn-1-amine has a molecular weight of 263.36 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methoxyphenyl)-N-propylhex-4-yn-1-amine is sourced from PubChem (CID 104806958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).