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

C15H22BrFN2 — CID 106615968

IUPACN-[(2-bromo-4-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCCN(Cc1ccc(F)cc1Br)CC1CCCN1
InChIInChI=1S/C15H22BrFN2/c1-2-8-19(11-14-4-3-7-18-14)10-12-5-6-13(17)9-15(12)16/h5-6,9,14,18H,2-4,7-8,10-11H2,1H3
InChIKeyORFIWASIWKLHMH-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.55
Rot. Bonds6

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

N-[(2-bromo-4-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine (PubChem CID 106615968) has the molecular formula C15H22BrFN2 and a molecular weight of 329.26 g/mol. Its IUPAC name is N-[(2-bromo-4-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-4-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
PubChem CID106615968
Molecular FormulaC15H22BrFN2
Molecular Weight329.26 g/mol
Exact Mass328.10
IUPAC NameN-[(2-bromo-4-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCCN(Cc1ccc(F)cc1Br)CC1CCCN1
InChIInChI=1S/C15H22BrFN2/c1-2-8-19(11-14-4-3-7-18-14)10-12-5-6-13(17)9-15(12)16/h5-6,9,14,18H,2-4,7-8,10-11H2,1H3
InChIKeyORFIWASIWKLHMH-UHFFFAOYSA-N
XLogP3.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-4-fluorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106617279
N-[(2,5-difluorophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623577
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615580
N-[(2-bromo-4-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615907
4-fluoro-2-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzonitrile
CID 106636161
4-bromo-2-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 107739200
N-[(2,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603805
2-[(2,4-difluorophenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606887
3-fluoro-4-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzonitrile
CID 106635989
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603362
N-[(3-bromo-4-chlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603964
N-[(2,5-difluorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106606335

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine (CID 106615968) is N-[(2-bromo-4-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[(2-bromo-4-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-[(2-bromo-4-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine is CCCN(Cc1ccc(F)cc1Br)CC1CCCN1.
What is the InChIKey of N-[(2-bromo-4-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The InChIKey is ORFIWASIWKLHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2/c1-2-8-19(11-14-4-3-7-18-14)10-12-5-6-13(17)9-15(12)16/h5-6,9,14,18H,2-4,7-8,10-11H2,1H3.
What are the key properties of N-[(2-bromo-4-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
N-[(2-bromo-4-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine has a molecular weight of 329.26 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106615968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).