4-chloro-N-(3-pyrrolidin-1-ylpropyl)aniline

C13H19ClN2 — CID 61494408

IUPAC4-chloro-N-(3-pyrrolidin-1-ylpropyl)aniline
SMILESClc1ccc(NCCCN2CCCC2)cc1
InChIInChI=1S/C13H19ClN2/c14-12-4-6-13(7-5-12)15-8-3-11-16-9-1-2-10-16/h4-7,15H,1-3,8-11H2
InChIKeyHFMAVDJZGULKIP-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.24
Rot. Bonds5

About 4-chloro-N-(3-pyrrolidin-1-ylpropyl)aniline

4-chloro-N-(3-pyrrolidin-1-ylpropyl)aniline (PubChem CID 61494408) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 4-chloro-N-(3-pyrrolidin-1-ylpropyl)aniline.

Molecular Properties

Compound Name4-chloro-N-(3-pyrrolidin-1-ylpropyl)aniline
PubChem CID61494408
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name4-chloro-N-(3-pyrrolidin-1-ylpropyl)aniline
SMILESClc1ccc(NCCCN2CCCC2)cc1
InChIInChI=1S/C13H19ClN2/c14-12-4-6-13(7-5-12)15-8-3-11-16-9-1-2-10-16/h4-7,15H,1-3,8-11H2
InChIKeyHFMAVDJZGULKIP-UHFFFAOYSA-N
XLogP3.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573511
4-(2-chloroethyl)-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 65023588
4-N,4-N-dimethyl-1-N-(3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine
CID 54961012
N-(4-chlorophenyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 55163626
N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]acetamide
CID 61494179
N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657714
3,5-dichloro-4-fluoro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 107574009
5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 62993016
4-chloro-N-[2-(1,4-thiazepan-4-yl)ethyl]aniline
CID 62557767
N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide
CID 60673794
N-(4-piperidin-1-ylbutyl)aniline
CID 67607520
2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 65498984

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-pyrrolidin-1-ylpropyl)aniline?
The IUPAC name of 4-chloro-N-(3-pyrrolidin-1-ylpropyl)aniline (CID 61494408) is 4-chloro-N-(3-pyrrolidin-1-ylpropyl)aniline.
What is the SMILES notation for 4-chloro-N-(3-pyrrolidin-1-ylpropyl)aniline?
The canonical SMILES for 4-chloro-N-(3-pyrrolidin-1-ylpropyl)aniline is Clc1ccc(NCCCN2CCCC2)cc1.
What is the InChIKey of 4-chloro-N-(3-pyrrolidin-1-ylpropyl)aniline?
The InChIKey is HFMAVDJZGULKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c14-12-4-6-13(7-5-12)15-8-3-11-16-9-1-2-10-16/h4-7,15H,1-3,8-11H2.
What are the key properties of 4-chloro-N-(3-pyrrolidin-1-ylpropyl)aniline?
4-chloro-N-(3-pyrrolidin-1-ylpropyl)aniline has a molecular weight of 238.76 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-pyrrolidin-1-ylpropyl)aniline is sourced from PubChem (CID 61494408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).