1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylpropan-2-amine

C15H23FN2 — CID 83986174

IUPAC1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)CC1CCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C15H23FN2/c1-12(17-2)9-14-7-8-18(11-14)10-13-3-5-15(16)6-4-13/h3-6,12,14,17H,7-11H2,1-2H3
InChIKeyAYWXNNCWAZCISD-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.65
Rot. Bonds5

About 1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylpropan-2-amine

1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylpropan-2-amine (PubChem CID 83986174) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylpropan-2-amine
PubChem CID83986174
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)CC1CCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C15H23FN2/c1-12(17-2)9-14-7-8-18(11-14)10-13-3-5-15(16)6-4-13/h3-6,12,14,17H,7-11H2,1-2H3
InChIKeyAYWXNNCWAZCISD-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropan-2-amine
CID 83982807
1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propan-2-amine
CID 83986159
methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propanoate
CID 83986142
N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 62593449
1-(1-benzylpyrrolidin-3-yl)-N-ethylpropan-2-amine
CID 83980661
3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-ol
CID 83983299
3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine
CID 83983298
1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53422149
4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]butan-2-amine
CID 83982798
(3R)-N-ethyl-1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine
CID 59641914
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-[(2S)-2-hydroxypropyl]methanesulfonamide
CID 125422258
methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanoate
CID 83983286

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylpropan-2-amine (CID 83986174) is 1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylpropan-2-amine is CNC(C)CC1CCN(Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylpropan-2-amine?
The InChIKey is AYWXNNCWAZCISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-12(17-2)9-14-7-8-18(11-14)10-13-3-5-15(16)6-4-13/h3-6,12,14,17H,7-11H2,1-2H3.
What are the key properties of 1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylpropan-2-amine?
1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylpropan-2-amine has a molecular weight of 250.36 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 83986174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).