N-[(3-fluoro-2-pyrrolidin-1-ylphenyl)methyl]-2-methylpropan-1-amine

C15H23FN2 — CID 114068086

IUPACN-[(3-fluoro-2-pyrrolidin-1-ylphenyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccc(F)c1N1CCCC1
InChIInChI=1S/C15H23FN2/c1-12(2)10-17-11-13-6-5-7-14(16)15(13)18-8-3-4-9-18/h5-7,12,17H,3-4,8-11H2,1-2H3
InChIKeyNHUBPJCFLUNSKO-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.17
Rot. Bonds5

About N-[(3-fluoro-2-pyrrolidin-1-ylphenyl)methyl]-2-methylpropan-1-amine

N-[(3-fluoro-2-pyrrolidin-1-ylphenyl)methyl]-2-methylpropan-1-amine (PubChem CID 114068086) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[(3-fluoro-2-pyrrolidin-1-ylphenyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-fluoro-2-pyrrolidin-1-ylphenyl)methyl]-2-methylpropan-1-amine
PubChem CID114068086
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-[(3-fluoro-2-pyrrolidin-1-ylphenyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccc(F)c1N1CCCC1
InChIInChI=1S/C15H23FN2/c1-12(2)10-17-11-13-6-5-7-14(16)15(13)18-8-3-4-9-18/h5-7,12,17H,3-4,8-11H2,1-2H3
InChIKeyNHUBPJCFLUNSKO-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluoro-2-pyrrolidin-1-ylphenyl)methanamine
CID 82505256
N-[(3-fluoro-2-piperidin-1-yl-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 105388882
N-[[3-fluoro-2-(2-methylpropylsulfanyl)phenyl]methyl]-2-methylpropan-1-amine
CID 114070287
2-fluoro-6-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]phenol
CID 112606832
N-[[2-(azepan-1-yl)-6-chlorophenyl]methyl]-2-methylpropan-1-amine
CID 63566563
2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 103499393
N-[(2-chloro-6-fluorophenyl)methyl]-2-methylpropan-1-amine;ethane
CID 142079135
N-[[3-(azocan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105072821
2-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 63059430
2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62278791
1-[(2-fluorophenyl)methylamino]-4-methylpentan-2-ol
CID 103631775
2-pyrrolidin-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine
CID 112727664

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-2-pyrrolidin-1-ylphenyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(3-fluoro-2-pyrrolidin-1-ylphenyl)methyl]-2-methylpropan-1-amine (CID 114068086) is N-[(3-fluoro-2-pyrrolidin-1-ylphenyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(3-fluoro-2-pyrrolidin-1-ylphenyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(3-fluoro-2-pyrrolidin-1-ylphenyl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1cccc(F)c1N1CCCC1.
What is the InChIKey of N-[(3-fluoro-2-pyrrolidin-1-ylphenyl)methyl]-2-methylpropan-1-amine?
The InChIKey is NHUBPJCFLUNSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-12(2)10-17-11-13-6-5-7-14(16)15(13)18-8-3-4-9-18/h5-7,12,17H,3-4,8-11H2,1-2H3.
What are the key properties of N-[(3-fluoro-2-pyrrolidin-1-ylphenyl)methyl]-2-methylpropan-1-amine?
N-[(3-fluoro-2-pyrrolidin-1-ylphenyl)methyl]-2-methylpropan-1-amine has a molecular weight of 250.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-2-pyrrolidin-1-ylphenyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114068086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).