N-[[5-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine

C16H25FN2O — CID 107696192

IUPACN-[[5-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(F)ccc1OCCN1CCCC1
InChIInChI=1S/C16H25FN2O/c1-13(2)18-12-14-11-15(17)5-6-16(14)20-10-9-19-7-3-4-8-19/h5-6,11,13,18H,3-4,7-10,12H2,1-2H3
InChIKeyWHAFFXAMNKCCEN-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.80
Rot. Bonds7

About N-[[5-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine

N-[[5-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine (PubChem CID 107696192) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[[5-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine
PubChem CID107696192
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC NameN-[[5-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(F)ccc1OCCN1CCCC1
InChIInChI=1S/C16H25FN2O/c1-13(2)18-12-14-11-15(17)5-6-16(14)20-10-9-19-7-3-4-8-19/h5-6,11,13,18H,3-4,7-10,12H2,1-2H3
InChIKeyWHAFFXAMNKCCEN-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[4-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 63065873
N-[[5-fluoro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 107696232
N-[[2-[2-(1,4-thiazepan-4-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 62413103
methyl 4-[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]butanoate
CID 107696219
4-[[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]methyl]phenol
CID 107696082
1-[5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60878143
4-fluoro-2-(2-pyrrolidin-1-ylethoxy)aniline
CID 62376118
N-[[5-fluoro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 107696179
1-[4-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
CID 63068202
1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol
CID 107696197
N-[[2-[(2-bromophenyl)methoxy]-5-fluorophenyl]methyl]propan-2-amine
CID 107696130
N-[[5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]ethanamine
CID 60883674

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine (CID 107696192) is N-[[5-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine is CC(C)NCc1cc(F)ccc1OCCN1CCCC1.
What is the InChIKey of N-[[5-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is WHAFFXAMNKCCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-13(2)18-12-14-11-15(17)5-6-16(14)20-10-9-19-7-3-4-8-19/h5-6,11,13,18H,3-4,7-10,12H2,1-2H3.
What are the key properties of N-[[5-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine?
N-[[5-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 280.39 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 107696192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).