N-[(5-fluoro-3-pyridinyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine

C14H21FN2O — CID 115805290

IUPACN-[(5-fluoro-3-pyridinyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(F)c1)C1CCOC1C
InChIInChI=1S/C14H21FN2O/c1-3-5-17-14(13-4-6-18-10(13)2)11-7-12(15)9-16-8-11/h7-10,13-14,17H,3-6H2,1-2H3
InChIKeyUCRFWOIOPQCDFM-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.69
Rot. Bonds5

About N-[(5-fluoro-3-pyridinyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine

N-[(5-fluoro-3-pyridinyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine (PubChem CID 115805290) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-[(5-fluoro-3-pyridinyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-3-pyridinyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
PubChem CID115805290
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-[(5-fluoro-3-pyridinyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(F)c1)C1CCOC1C
InChIInChI=1S/C14H21FN2O/c1-3-5-17-14(13-4-6-18-10(13)2)11-7-12(15)9-16-8-11/h7-10,13-14,17H,3-6H2,1-2H3
InChIKeyUCRFWOIOPQCDFM-UHFFFAOYSA-N
XLogP2.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methyloxolan-3-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 115799745
N-[(5-fluoro-3-pyridinyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 115804971
N-[(2-fluoro-5-methylphenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 115852879
N-[(2-methyloxolan-3-yl)-[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 79755119
N-[(2,2-dimethylcyclohexyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 107187920
N-[bis(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 105102198
N-[(1-methylimidazol-2-yl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 115860068
N-[(4-methoxy-3-methylphenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 79759239
N-[(1,1-dioxothian-2-yl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 115805156
N-[(4-bromo-3-chloro-2-fluorophenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 106764501
N-[(2-methyloxolan-3-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 79759544
N-[(2-methylcyclopentyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 107190433

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-3-pyridinyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-fluoro-3-pyridinyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine (CID 115805290) is N-[(5-fluoro-3-pyridinyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-fluoro-3-pyridinyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-fluoro-3-pyridinyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine is CCCNC(c1cncc(F)c1)C1CCOC1C.
What is the InChIKey of N-[(5-fluoro-3-pyridinyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine?
The InChIKey is UCRFWOIOPQCDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-3-5-17-14(13-4-6-18-10(13)2)11-7-12(15)9-16-8-11/h7-10,13-14,17H,3-6H2,1-2H3.
What are the key properties of N-[(5-fluoro-3-pyridinyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine?
N-[(5-fluoro-3-pyridinyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine has a molecular weight of 252.33 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-3-pyridinyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 115805290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).