4-(2-chloroethyl)-N-(3-pyrrolidin-1-ylpropyl)aniline

C15H23ClN2 — CID 65023588

IUPAC4-(2-chloroethyl)-N-(3-pyrrolidin-1-ylpropyl)aniline
SMILESClCCc1ccc(NCCCN2CCCC2)cc1
InChIInChI=1S/C15H23ClN2/c16-9-8-14-4-6-15(7-5-14)17-10-3-13-18-11-1-2-12-18/h4-7,17H,1-3,8-13H2
InChIKeyQULBIPFKDKJUCR-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.37
Rot. Bonds7

About 4-(2-chloroethyl)-N-(3-pyrrolidin-1-ylpropyl)aniline

4-(2-chloroethyl)-N-(3-pyrrolidin-1-ylpropyl)aniline (PubChem CID 65023588) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 4-(2-chloroethyl)-N-(3-pyrrolidin-1-ylpropyl)aniline.

Molecular Properties

Compound Name4-(2-chloroethyl)-N-(3-pyrrolidin-1-ylpropyl)aniline
PubChem CID65023588
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name4-(2-chloroethyl)-N-(3-pyrrolidin-1-ylpropyl)aniline
SMILESClCCc1ccc(NCCCN2CCCC2)cc1
InChIInChI=1S/C15H23ClN2/c16-9-8-14-4-6-15(7-5-14)17-10-3-13-18-11-1-2-12-18/h4-7,17H,1-3,8-13H2
InChIKeyQULBIPFKDKJUCR-UHFFFAOYSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(2-chloroethyl)-N-(3-pyrrolidin-1-ylpropyl)aniline 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

4-chloro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 61494408
4-N,4-N-dimethyl-1-N-(3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine
CID 54961012
N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]acetamide
CID 61494179
1-[[4-(2-chloroethyl)phenyl]methyl]pyrrolidine
CID 69499407
N-(4-piperidin-1-ylbutyl)aniline
CID 67607520
4-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573511
N-(6-piperidin-1-ylhexyl)aniline
CID 70509590
N'-[4-(pyrrolidin-1-ylmethyl)phenyl]hexane-1,6-diamine
CID 83961000
3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287
3,5-dichloro-4-fluoro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 107574009
N-(3-pyrrolidin-1-ylpropyl)thiophen-3-amine
CID 66352590
2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 65498984

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-N-(3-pyrrolidin-1-ylpropyl)aniline?
The IUPAC name of 4-(2-chloroethyl)-N-(3-pyrrolidin-1-ylpropyl)aniline (CID 65023588) is 4-(2-chloroethyl)-N-(3-pyrrolidin-1-ylpropyl)aniline.
What is the SMILES notation for 4-(2-chloroethyl)-N-(3-pyrrolidin-1-ylpropyl)aniline?
The canonical SMILES for 4-(2-chloroethyl)-N-(3-pyrrolidin-1-ylpropyl)aniline is ClCCc1ccc(NCCCN2CCCC2)cc1.
What is the InChIKey of 4-(2-chloroethyl)-N-(3-pyrrolidin-1-ylpropyl)aniline?
The InChIKey is QULBIPFKDKJUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c16-9-8-14-4-6-15(7-5-14)17-10-3-13-18-11-1-2-12-18/h4-7,17H,1-3,8-13H2.
What are the key properties of 4-(2-chloroethyl)-N-(3-pyrrolidin-1-ylpropyl)aniline?
4-(2-chloroethyl)-N-(3-pyrrolidin-1-ylpropyl)aniline has a molecular weight of 266.82 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)-N-(3-pyrrolidin-1-ylpropyl)aniline is sourced from PubChem (CID 65023588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).