N-[[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine

C16H25FN2 — CID 63058827

IUPACN-[[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(N2CCCC2C)c(F)c1
InChIInChI=1S/C16H25FN2/c1-12(2)10-18-11-14-6-7-16(15(17)9-14)19-8-4-5-13(19)3/h6-7,9,12-13,18H,4-5,8,10-11H2,1-3H3
InChIKeyGTMUSRYWOWKCMG-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.56
Rot. Bonds5

About N-[[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine

N-[[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63058827) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID63058827
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(N2CCCC2C)c(F)c1
InChIInChI=1S/C16H25FN2/c1-12(2)10-18-11-14-6-7-16(15(17)9-14)19-8-4-5-13(19)3/h6-7,9,12-13,18H,4-5,8,10-11H2,1-3H3
InChIKeyGTMUSRYWOWKCMG-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[[3-fluoro-4-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63060508
N-[[4-(4,4-dimethylpiperidin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 63552898
N-[[4-(2-ethylpyrrolidin-1-yl)-3-fluorophenyl]methyl]propan-2-amine
CID 54885787
2-methyl-N-[[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 113388089
N-[[4-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63059703
N-[[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
CID 43542420
N-[(4-cyclopentylsulfanyl-3-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 63814069
N-[[3-fluoro-4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 83045538
N-[[3-fluoro-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-2-amine
CID 102884919
1-[2-fluoro-5-[(2-methylpropylamino)methyl]phenyl]piperidine-3-carboxylic acid
CID 84753266
N-(cyclobutylmethyl)-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63071120
N-[[4-(2-ethylpiperidin-1-yl)-3-fluorophenyl]methyl]propan-1-amine
CID 43281717

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine (CID 63058827) is N-[[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccc(N2CCCC2C)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is GTMUSRYWOWKCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-12(2)10-18-11-14-6-7-16(15(17)9-14)19-8-4-5-13(19)3/h6-7,9,12-13,18H,4-5,8,10-11H2,1-3H3.
What are the key properties of N-[[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine?
N-[[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 264.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63058827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).