3-[2-(3-fluorophenyl)ethoxymethyl]-N,1,3-trimethylcyclobutan-1-amine

C16H24FNO — CID 142585756

IUPAC3-[2-(3-fluorophenyl)ethoxymethyl]-N,1,3-trimethylcyclobutan-1-amine
SMILESCNC1(C)CC(C)(COCCc2cccc(F)c2)C1
InChIInChI=1S/C16H24FNO/c1-15(10-16(2,11-15)18-3)12-19-8-7-13-5-4-6-14(17)9-13/h4-6,9,18H,7-8,10-12H2,1-3H3
InChIKeyMKFADFQLYVHXPX-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.16
Rot. Bonds6

About 3-[2-(3-fluorophenyl)ethoxymethyl]-N,1,3-trimethylcyclobutan-1-amine

3-[2-(3-fluorophenyl)ethoxymethyl]-N,1,3-trimethylcyclobutan-1-amine (PubChem CID 142585756) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)ethoxymethyl]-N,1,3-trimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)ethoxymethyl]-N,1,3-trimethylcyclobutan-1-amine
PubChem CID142585756
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name3-[2-(3-fluorophenyl)ethoxymethyl]-N,1,3-trimethylcyclobutan-1-amine
SMILESCNC1(C)CC(C)(COCCc2cccc(F)c2)C1
InChIInChI=1S/C16H24FNO/c1-15(10-16(2,11-15)18-3)12-19-8-7-13-5-4-6-14(17)9-13/h4-6,9,18H,7-8,10-12H2,1-3H3
InChIKeyMKFADFQLYVHXPX-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.16
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

N,3-dimethyl-3-[2-(3-methylphenyl)ethoxymethyl]cyclobutan-1-amine
CID 142585858
N-[3-(3-fluorophenyl)propoxy]methanamine
CID 117126889
3-[2-(3-fluorophenyl)ethoxy]propanoic acid
CID 59296248
2-(3-fluorophenyl)ethoxy-dimethoxysilane
CID 152766772
CID 90171486
CID 90171486
(3R)-N-[(3-fluorophenyl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 129364703
N'-[2-(3-fluorophenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202153
acetylene;1-butyl-3-fluorobenzene
CID 142913636
(Z)-4-(3-fluorophenyl)-N-methylbut-2-en-1-amine
CID 117265824
N-(1,4-dimethylcyclohexyl)-3-(3-fluorophenyl)propanamide
CID 86876241
1-[3-(cyclopropylmethoxy)propyl]-3-[3-(3-fluorophenyl)propyl]-2-methylguanidine
CID 111839753
4-[3-(3-fluorophenyl)propyl]-3,3-dimethylthiomorpholine
CID 99799922

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenyl)ethoxymethyl]-N,1,3-trimethylcyclobutan-1-amine?
The IUPAC name of 3-[2-(3-fluorophenyl)ethoxymethyl]-N,1,3-trimethylcyclobutan-1-amine (CID 142585756) is 3-[2-(3-fluorophenyl)ethoxymethyl]-N,1,3-trimethylcyclobutan-1-amine.
What is the SMILES notation for 3-[2-(3-fluorophenyl)ethoxymethyl]-N,1,3-trimethylcyclobutan-1-amine?
The canonical SMILES for 3-[2-(3-fluorophenyl)ethoxymethyl]-N,1,3-trimethylcyclobutan-1-amine is CNC1(C)CC(C)(COCCc2cccc(F)c2)C1.
What is the InChIKey of 3-[2-(3-fluorophenyl)ethoxymethyl]-N,1,3-trimethylcyclobutan-1-amine?
The InChIKey is MKFADFQLYVHXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-15(10-16(2,11-15)18-3)12-19-8-7-13-5-4-6-14(17)9-13/h4-6,9,18H,7-8,10-12H2,1-3H3.
What are the key properties of 3-[2-(3-fluorophenyl)ethoxymethyl]-N,1,3-trimethylcyclobutan-1-amine?
3-[2-(3-fluorophenyl)ethoxymethyl]-N,1,3-trimethylcyclobutan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenyl)ethoxymethyl]-N,1,3-trimethylcyclobutan-1-amine is sourced from PubChem (CID 142585756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).