1-benzyl-N-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine

C18H20F2N2 — CID 162652477

IUPAC1-benzyl-N-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine
SMILESFc1ccc(CNC2CCN(Cc3ccccc3)C2)c(F)c1
InChIInChI=1S/C18H20F2N2/c19-16-7-6-15(18(20)10-16)11-21-17-8-9-22(13-17)12-14-4-2-1-3-5-14/h1-7,10,17,21H,8-9,11-13H2
InChIKeyGZGCQOBTRUVMOI-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.33
Rot. Bonds5

About 1-benzyl-N-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine

1-benzyl-N-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine (PubChem CID 162652477) has the molecular formula C18H20F2N2 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-benzyl-N-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine
PubChem CID162652477
Molecular FormulaC18H20F2N2
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-benzyl-N-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine
SMILESFc1ccc(CNC2CCN(Cc3ccccc3)C2)c(F)c1
InChIInChI=1S/C18H20F2N2/c19-16-7-6-15(18(20)10-16)11-21-17-8-9-22(13-17)12-14-4-2-1-3-5-14/h1-7,10,17,21H,8-9,11-13H2
InChIKeyGZGCQOBTRUVMOI-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 8793
Benzhydrylpiperazine
CID 70048
Norbenzphetamine
CID 102554
1-(Bis(4-fluorophenyl)methyl)piperazine
CID 152932
1-(3-Fluorobenzyl)piperazine
CID 903813
Bis(alpha-methylbenzyl)amine
CID 24804
1-(4-Fluorobenzyl)piperazine
CID 796563
1,2-Ethanediamine, N1,N2-bis(phenylmethyl)-, hydrochloride (1:2)
CID 2728761
alpha-methyl-N-(1-phenylethyl)-benzenethanamine
CID 6430604
N,N'-Bis(1-phenylethyl)diaminoethane
CID 22679
1-benzyl-N-methylpyrrolidin-3-amine
CID 13787478
N,N'-Bis(benzyl)-1,3-diaminopropane
CID 151498

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine (CID 162652477) is 1-benzyl-N-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine is Fc1ccc(CNC2CCN(Cc3ccccc3)C2)c(F)c1.
What is the InChIKey of 1-benzyl-N-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine?
The InChIKey is GZGCQOBTRUVMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2/c19-16-7-6-15(18(20)10-16)11-21-17-8-9-22(13-17)12-14-4-2-1-3-5-14/h1-7,10,17,21H,8-9,11-13H2.
What are the key properties of 1-benzyl-N-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine?
1-benzyl-N-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine has a molecular weight of 302.37 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 162652477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).