N-[(2-chloro-5-fluorophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine

C14H20ClFN2 — CID 102615571

IUPACN-[(2-chloro-5-fluorophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
SMILESCC(CN1CCCC1)NCc1cc(F)ccc1Cl
InChIInChI=1S/C14H20ClFN2/c1-11(10-18-6-2-3-7-18)17-9-12-8-13(16)4-5-14(12)15/h4-5,8,11,17H,2-3,6-7,9-10H2,1H3
InChIKeyPGAFZXGPSKDLTC-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.05
Rot. Bonds5

About N-[(2-chloro-5-fluorophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine

N-[(2-chloro-5-fluorophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine (PubChem CID 102615571) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is N-[(2-chloro-5-fluorophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-5-fluorophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
PubChem CID102615571
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC NameN-[(2-chloro-5-fluorophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
SMILESCC(CN1CCCC1)NCc1cc(F)ccc1Cl
InChIInChI=1S/C14H20ClFN2/c1-11(10-18-6-2-3-7-18)17-9-12-8-13(16)4-5-14(12)15/h4-5,8,11,17H,2-3,6-7,9-10H2,1H3
InChIKeyPGAFZXGPSKDLTC-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-chloro-5-fluorophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine 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-[(2-bromo-4-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 54938184
N-[(2-chloro-5-nitrophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61471859
2-[(2-chloro-5-fluorophenyl)methylamino]propan-1-ol
CID 102615479
3-[(2-chloro-5-fluorophenyl)methylamino]butan-1-ol
CID 102615905
N-[(2-chloro-6-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 43749140
N-[(2-chloro-5-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 102615682
N-[(2,3-difluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 54938186
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 62993549
2-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenol
CID 54953010
N-[(3-chloro-4-iodophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 103208125
2-methyl-5-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]-1H-pyridin-4-one
CID 114038762
N-[(2-ethylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 55067398

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine (CID 102615571) is N-[(2-chloro-5-fluorophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for N-[(2-chloro-5-fluorophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for N-[(2-chloro-5-fluorophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine is CC(CN1CCCC1)NCc1cc(F)ccc1Cl.
What is the InChIKey of N-[(2-chloro-5-fluorophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is PGAFZXGPSKDLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-11(10-18-6-2-3-7-18)17-9-12-8-13(16)4-5-14(12)15/h4-5,8,11,17H,2-3,6-7,9-10H2,1H3.
What are the key properties of N-[(2-chloro-5-fluorophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine?
N-[(2-chloro-5-fluorophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 270.78 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-fluorophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine is sourced from PubChem (CID 102615571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).