N-[1-(2-fluoro-4,6-dimethylphenyl)-2-propoxyethyl]propan-1-amine

C16H26FNO — CID 106881429

IUPACN-[1-(2-fluoro-4,6-dimethylphenyl)-2-propoxyethyl]propan-1-amine
SMILESCCCNC(COCCC)c1c(C)cc(C)cc1F
InChIInChI=1S/C16H26FNO/c1-5-7-18-15(11-19-8-6-2)16-13(4)9-12(3)10-14(16)17/h9-10,15,18H,5-8,11H2,1-4H3
InChIKeyILRDGJIVDDIKTR-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.91
Rot. Bonds8

About N-[1-(2-fluoro-4,6-dimethylphenyl)-2-propoxyethyl]propan-1-amine

N-[1-(2-fluoro-4,6-dimethylphenyl)-2-propoxyethyl]propan-1-amine (PubChem CID 106881429) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[1-(2-fluoro-4,6-dimethylphenyl)-2-propoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-fluoro-4,6-dimethylphenyl)-2-propoxyethyl]propan-1-amine
PubChem CID106881429
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC NameN-[1-(2-fluoro-4,6-dimethylphenyl)-2-propoxyethyl]propan-1-amine
SMILESCCCNC(COCCC)c1c(C)cc(C)cc1F
InChIInChI=1S/C16H26FNO/c1-5-7-18-15(11-19-8-6-2)16-13(4)9-12(3)10-14(16)17/h9-10,15,18H,5-8,11H2,1-4H3
InChIKeyILRDGJIVDDIKTR-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylbutan-1-amine
CID 106883923
1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 106881532
1-(2-fluoro-4,6-dimethylphenyl)-2-propoxyethanol
CID 106881025
N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 63475624
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-amine
CID 106881356
N-[1-(4-chloro-2,5-difluorophenyl)-2-propoxyethyl]propan-1-amine
CID 105008662
[1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
CID 106884466
2-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylpentan-1-amine
CID 106881995
N-[(4-chlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106881255
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethylbutan-1-amine
CID 106881531
N-[cyclohexyl-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106881354
N-[(2-fluoro-4,6-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 106883539

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-4,6-dimethylphenyl)-2-propoxyethyl]propan-1-amine?
The IUPAC name of N-[1-(2-fluoro-4,6-dimethylphenyl)-2-propoxyethyl]propan-1-amine (CID 106881429) is N-[1-(2-fluoro-4,6-dimethylphenyl)-2-propoxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-fluoro-4,6-dimethylphenyl)-2-propoxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-fluoro-4,6-dimethylphenyl)-2-propoxyethyl]propan-1-amine is CCCNC(COCCC)c1c(C)cc(C)cc1F.
What is the InChIKey of N-[1-(2-fluoro-4,6-dimethylphenyl)-2-propoxyethyl]propan-1-amine?
The InChIKey is ILRDGJIVDDIKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-5-7-18-15(11-19-8-6-2)16-13(4)9-12(3)10-14(16)17/h9-10,15,18H,5-8,11H2,1-4H3.
What are the key properties of N-[1-(2-fluoro-4,6-dimethylphenyl)-2-propoxyethyl]propan-1-amine?
N-[1-(2-fluoro-4,6-dimethylphenyl)-2-propoxyethyl]propan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-4,6-dimethylphenyl)-2-propoxyethyl]propan-1-amine is sourced from PubChem (CID 106881429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).