1-[(4-fluorophenyl)-phenylmethyl]-N-methylpyrrolidin-3-amine

C18H21FN2 — CID 115299896

IUPAC1-[(4-fluorophenyl)-phenylmethyl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(C(c2ccccc2)c2ccc(F)cc2)C1
InChIInChI=1S/C18H21FN2/c1-20-17-11-12-21(13-17)18(14-5-3-2-4-6-14)15-7-9-16(19)10-8-15/h2-10,17-18,20H,11-13H2,1H3
InChIKeyNEBFVRVBDJQHDT-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.21
Rot. Bonds4

About 1-[(4-fluorophenyl)-phenylmethyl]-N-methylpyrrolidin-3-amine

1-[(4-fluorophenyl)-phenylmethyl]-N-methylpyrrolidin-3-amine (PubChem CID 115299896) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)-phenylmethyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)-phenylmethyl]-N-methylpyrrolidin-3-amine
PubChem CID115299896
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name1-[(4-fluorophenyl)-phenylmethyl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(C(c2ccccc2)c2ccc(F)cc2)C1
InChIInChI=1S/C18H21FN2/c1-20-17-11-12-21(13-17)18(14-5-3-2-4-6-14)15-7-9-16(19)10-8-15/h2-10,17-18,20H,11-13H2,1H3
InChIKeyNEBFVRVBDJQHDT-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluorophenyl)-phenylmethyl]-4-methylpiperazine
CID 67474730
N-cyclopropyl-1-[(R)-(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide
CID 97014859
1-[2-(4-fluorophenyl)propyl]-N-methylpyrrolidin-3-amine
CID 120834127
1-(1-benzhydrylpyrrolidin-3-yl)-N-methylmethanamine;ethane
CID 91616896
N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81493085
N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119905925
4-[[1-[(R)-(4-fluorophenyl)-phenylmethyl]piperidin-4-yl]methyl]morpholine
CID 96522284
N-(3-fluorophenyl)-1-[iodo(phenyl)methyl]pyrrolidin-3-amine
CID 69181381
1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperidine
CID 59769476
1-[bis(4-fluorophenyl)methyl]-3-propan-2-ylpiperazine
CID 20794534
1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperidine;dihydrochloride
CID 158905589
(3R)-N-ethyl-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine
CID 98177963

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)-phenylmethyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-[(4-fluorophenyl)-phenylmethyl]-N-methylpyrrolidin-3-amine (CID 115299896) is 1-[(4-fluorophenyl)-phenylmethyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(4-fluorophenyl)-phenylmethyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[(4-fluorophenyl)-phenylmethyl]-N-methylpyrrolidin-3-amine is CNC1CCN(C(c2ccccc2)c2ccc(F)cc2)C1.
What is the InChIKey of 1-[(4-fluorophenyl)-phenylmethyl]-N-methylpyrrolidin-3-amine?
The InChIKey is NEBFVRVBDJQHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-20-17-11-12-21(13-17)18(14-5-3-2-4-6-14)15-7-9-16(19)10-8-15/h2-10,17-18,20H,11-13H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)-phenylmethyl]-N-methylpyrrolidin-3-amine?
1-[(4-fluorophenyl)-phenylmethyl]-N-methylpyrrolidin-3-amine has a molecular weight of 284.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)-phenylmethyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 115299896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).