N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine

C16H22BrFN2 — CID 106616244

IUPACN-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine
SMILESFc1cc(Br)cc(CN(CC2CC2)CC2CCCN2)c1
InChIInChI=1S/C16H22BrFN2/c17-14-6-13(7-15(18)8-14)10-20(9-12-3-4-12)11-16-2-1-5-19-16/h6-8,12,16,19H,1-5,9-11H2
InChIKeyDLIHGFLWBNPLTA-UHFFFAOYSA-N
MW341.27 g/mol
LogP3.55
Rot. Bonds6

About N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine

N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine (PubChem CID 106616244) has the molecular formula C16H22BrFN2 and a molecular weight of 341.27 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine
PubChem CID106616244
Molecular FormulaC16H22BrFN2
Molecular Weight341.27 g/mol
Exact Mass340.10
IUPAC NameN-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine
SMILESFc1cc(Br)cc(CN(CC2CC2)CC2CCCN2)c1
InChIInChI=1S/C16H22BrFN2/c17-14-6-13(7-15(18)8-14)10-20(9-12-3-4-12)11-16-2-1-5-19-16/h6-8,12,16,19H,1-5,9-11H2
InChIKeyDLIHGFLWBNPLTA-UHFFFAOYSA-N
XLogP3.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-bromo-5-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79716481
1-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604588
N-[(3,5-difluorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605797
1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604413
1-cyclopropyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604286
5-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-2-fluorobenzonitrile
CID 107883167
3-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-5-fluorobenzonitrile
CID 106614926
N-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79717100
N,N-bis[(3-fluorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
CID 95731958
3-fluoro-5-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzonitrile
CID 106635781
N-[(3,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603533
N-[(3-fluorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605110

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine (CID 106616244) is N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine is Fc1cc(Br)cc(CN(CC2CC2)CC2CCCN2)c1.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine?
The InChIKey is DLIHGFLWBNPLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrFN2/c17-14-6-13(7-15(18)8-14)10-20(9-12-3-4-12)11-16-2-1-5-19-16/h6-8,12,16,19H,1-5,9-11H2.
What are the key properties of N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine?
N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine has a molecular weight of 341.27 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-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine is sourced from PubChem (CID 106616244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).