N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine

C14H21FN2O — CID 103788436

IUPACN-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
SMILESCOC1CC(NC(C)c2cncc(F)c2)C1(C)C
InChIInChI=1S/C14H21FN2O/c1-9(10-5-11(15)8-16-7-10)17-12-6-13(18-4)14(12,2)3/h5,7-9,12-13,17H,6H2,1-4H3
InChIKeyHOIATUKRAFZADG-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.68
Rot. Bonds4

About N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine

N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine (PubChem CID 103788436) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
PubChem CID103788436
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
SMILESCOC1CC(NC(C)c2cncc(F)c2)C1(C)C
InChIInChI=1S/C14H21FN2O/c1-9(10-5-11(15)8-16-7-10)17-12-6-13(18-4)14(12,2)3/h5,7-9,12-13,17H,6H2,1-4H3
InChIKeyHOIATUKRAFZADG-UHFFFAOYSA-N
XLogP2.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(5-fluoro-3-pyridinyl)ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 113372086
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 103776178
N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 103907148
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-propan-2-ylcyclohexan-1-amine
CID 103781018
5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyrimidin-2-amine
CID 103826199
N-[1-(4-bromothiophen-2-yl)ethyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 107167528
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylcyclohexan-1-amine
CID 103775342
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-oxothian-4-amine
CID 114080574
N-[1-(5-fluoro-3-pyridinyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 103788624
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-propylcyclohexan-1-amine
CID 103778764
1-(5-fluoro-3-pyridinyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107166794
3-ethoxy-2,2-dimethyl-N-[(1R)-1-pyridin-4-ylethyl]cyclobutan-1-amine
CID 81406092

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine (CID 103788436) is N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine is COC1CC(NC(C)c2cncc(F)c2)C1(C)C.
What is the InChIKey of N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine?
The InChIKey is HOIATUKRAFZADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-9(10-5-11(15)8-16-7-10)17-12-6-13(18-4)14(12,2)3/h5,7-9,12-13,17H,6H2,1-4H3.
What are the key properties of N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine?
N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine has a molecular weight of 252.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 103788436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).