N-[[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methyl]ethanamine

C17H26ClN3 — CID 114851073

IUPACN-[[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1N1CCC(N2CCCC2)C1
InChIInChI=1S/C17H26ClN3/c1-2-19-12-14-11-15(18)5-6-17(14)21-10-7-16(13-21)20-8-3-4-9-20/h5-6,11,16,19H,2-4,7-10,12-13H2,1H3
InChIKeyIPVMKMZPNZVKHI-UHFFFAOYSA-N
MW307.87 g/mol
LogP3.12
Rot. Bonds5

About N-[[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methyl]ethanamine

N-[[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methyl]ethanamine (PubChem CID 114851073) has the molecular formula C17H26ClN3 and a molecular weight of 307.87 g/mol. Its IUPAC name is N-[[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methyl]ethanamine
PubChem CID114851073
Molecular FormulaC17H26ClN3
Molecular Weight307.87 g/mol
Exact Mass307.18
IUPAC NameN-[[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1N1CCC(N2CCCC2)C1
InChIInChI=1S/C17H26ClN3/c1-2-19-12-14-11-15(18)5-6-17(14)21-10-7-16(13-21)20-8-3-4-9-20/h5-6,11,16,19H,2-4,7-10,12-13H2,1H3
InChIKeyIPVMKMZPNZVKHI-UHFFFAOYSA-N
XLogP3.12
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methyl]ethanamine 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

[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63171616
1-[1-[4-chloro-2-(ethylaminomethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 114853256
N-[[5-chloro-2-(3-propylpyrrolidin-1-yl)phenyl]methyl]ethanamine
CID 114853511
N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluorophenyl]methyl]ethanamine
CID 79916053
N-[[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-chlorophenyl]methyl]ethanamine
CID 81145900
1-[5-chloro-2-(chloromethyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine
CID 114846658
N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 114847259
N-[[5-chloro-2-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]ethanamine
CID 114849185
N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 114849168
[4-chloro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63172008
2-[4-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 114860944
[5-chloro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol
CID 114845724

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methyl]ethanamine (CID 114851073) is N-[[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methyl]ethanamine is CCNCc1cc(Cl)ccc1N1CCC(N2CCCC2)C1.
What is the InChIKey of N-[[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methyl]ethanamine?
The InChIKey is IPVMKMZPNZVKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3/c1-2-19-12-14-11-15(18)5-6-17(14)21-10-7-16(13-21)20-8-3-4-9-20/h5-6,11,16,19H,2-4,7-10,12-13H2,1H3.
What are the key properties of N-[[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methyl]ethanamine?
N-[[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methyl]ethanamine has a molecular weight of 307.87 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 114851073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).