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

C14H20BrFN2 — CID 65436566

IUPACN-[[1-(4-bromo-3-fluorophenyl)pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(c2ccc(Br)c(F)c2)C1
InChIInChI=1S/C14H20BrFN2/c1-10(2)17-8-11-5-6-18(9-11)12-3-4-13(15)14(16)7-12/h3-4,7,10-11,17H,5-6,8-9H2,1-2H3
InChIKeyDXKPXRLTEPXCMP-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.41
Rot. Bonds4

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

N-[[1-(4-bromo-3-fluorophenyl)pyrrolidin-3-yl]methyl]propan-2-amine (PubChem CID 65436566) has the molecular formula C14H20BrFN2 and a molecular weight of 315.23 g/mol. Its IUPAC name is N-[[1-(4-bromo-3-fluorophenyl)pyrrolidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(4-bromo-3-fluorophenyl)pyrrolidin-3-yl]methyl]propan-2-amine
PubChem CID65436566
Molecular FormulaC14H20BrFN2
Molecular Weight315.23 g/mol
Exact Mass314.08
IUPAC NameN-[[1-(4-bromo-3-fluorophenyl)pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(c2ccc(Br)c(F)c2)C1
InChIInChI=1S/C14H20BrFN2/c1-10(2)17-8-11-5-6-18(9-11)12-3-4-13(15)14(16)7-12/h3-4,7,10-11,17H,5-6,8-9H2,1-2H3
InChIKeyDXKPXRLTEPXCMP-UHFFFAOYSA-N
XLogP3.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 55081581
N-[[1-(4-bromo-3-fluorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 65436366
N-[[1-(6-bromonaphthalen-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 81266805
3-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methylamino]-2-methylbutan-2-ol
CID 138006399
N-[[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513041
1-(4-bromo-3-fluorophenyl)pyrrolidin-3-amine
CID 65435771
N-[[1-(4-bromo-3-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513701
N-[[1-[3-(methoxymethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512611
(1R)-N-[[(3S)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-1-pyridin-3-ylethanamine
CID 97158257
N-[[1-(2-bromo-1H-pyrrol-3-yl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 141399761
1-(4-bromo-3-fluorophenyl)-3-(2-methylpropyl)piperazine
CID 65430675
N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 75382980

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-bromo-3-fluorophenyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(4-bromo-3-fluorophenyl)pyrrolidin-3-yl]methyl]propan-2-amine (CID 65436566) is N-[[1-(4-bromo-3-fluorophenyl)pyrrolidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(4-bromo-3-fluorophenyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(4-bromo-3-fluorophenyl)pyrrolidin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCN(c2ccc(Br)c(F)c2)C1.
What is the InChIKey of N-[[1-(4-bromo-3-fluorophenyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The InChIKey is DXKPXRLTEPXCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2/c1-10(2)17-8-11-5-6-18(9-11)12-3-4-13(15)14(16)7-12/h3-4,7,10-11,17H,5-6,8-9H2,1-2H3.
What are the key properties of N-[[1-(4-bromo-3-fluorophenyl)pyrrolidin-3-yl]methyl]propan-2-amine?
N-[[1-(4-bromo-3-fluorophenyl)pyrrolidin-3-yl]methyl]propan-2-amine has a molecular weight of 315.23 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-bromo-3-fluorophenyl)pyrrolidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 65436566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).