5-(3-anilinopropyl)-2-pyrrolidin-1-ylaniline

C19H25N3 — CID 39112407

IUPAC5-(3-anilinopropyl)-2-pyrrolidin-1-ylaniline
SMILESNc1cc(CCCNc2ccccc2)ccc1N1CCCC1
InChIInChI=1S/C19H25N3/c20-18-15-16(10-11-19(18)22-13-4-5-14-22)7-6-12-21-17-8-2-1-3-9-17/h1-3,8-11,15,21H,4-7,12-14,20H2
InChIKeyMJFYNOIQZFOUHM-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.91
Rot. Bonds6

About 5-(3-anilinopropyl)-2-pyrrolidin-1-ylaniline

5-(3-anilinopropyl)-2-pyrrolidin-1-ylaniline (PubChem CID 39112407) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 5-(3-anilinopropyl)-2-pyrrolidin-1-ylaniline.

Molecular Properties

Compound Name5-(3-anilinopropyl)-2-pyrrolidin-1-ylaniline
PubChem CID39112407
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name5-(3-anilinopropyl)-2-pyrrolidin-1-ylaniline
SMILESNc1cc(CCCNc2ccccc2)ccc1N1CCCC1
InChIInChI=1S/C19H25N3/c20-18-15-16(10-11-19(18)22-13-4-5-14-22)7-6-12-21-17-8-2-1-3-9-17/h1-3,8-11,15,21H,4-7,12-14,20H2
InChIKeyMJFYNOIQZFOUHM-UHFFFAOYSA-N
XLogP3.91
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-amino-4-pyrrolidin-1-ylphenyl)propyl]cyclooctanamine
CID 39113096
5-[3-(N-methylanilino)propyl]-2-piperidin-1-ylaniline
CID 82071739
5-benzyl-2-pyrrolidin-1-ylaniline
CID 39356087
2-piperidin-1-yl-5-(3-piperidin-1-ylpropyl)aniline
CID 82070762
5-(aminomethyl)-2-piperidin-1-ylaniline
CID 82506966
(3-amino-4-pyrrolidin-1-ylphenyl)methanol
CID 94830386
N-[3-(4-fluorophenyl)propyl]aniline
CID 91405958
3-(3-amino-4-piperidin-1-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 82070972
N-[3-(3-fluorophenyl)propyl]aniline
CID 90949937
N-[3-(4-propylphenyl)propyl]aniline
CID 90752574
3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-[4-(dimethylamino)butyl]propanamide
CID 39112746
3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-(3-methylbutyl)propanamide
CID 39112758

Frequently Asked Questions

What is the IUPAC name of 5-(3-anilinopropyl)-2-pyrrolidin-1-ylaniline?
The IUPAC name of 5-(3-anilinopropyl)-2-pyrrolidin-1-ylaniline (CID 39112407) is 5-(3-anilinopropyl)-2-pyrrolidin-1-ylaniline.
What is the SMILES notation for 5-(3-anilinopropyl)-2-pyrrolidin-1-ylaniline?
The canonical SMILES for 5-(3-anilinopropyl)-2-pyrrolidin-1-ylaniline is Nc1cc(CCCNc2ccccc2)ccc1N1CCCC1.
What is the InChIKey of 5-(3-anilinopropyl)-2-pyrrolidin-1-ylaniline?
The InChIKey is MJFYNOIQZFOUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c20-18-15-16(10-11-19(18)22-13-4-5-14-22)7-6-12-21-17-8-2-1-3-9-17/h1-3,8-11,15,21H,4-7,12-14,20H2.
What are the key properties of 5-(3-anilinopropyl)-2-pyrrolidin-1-ylaniline?
5-(3-anilinopropyl)-2-pyrrolidin-1-ylaniline has a molecular weight of 295.43 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-anilinopropyl)-2-pyrrolidin-1-ylaniline is sourced from PubChem (CID 39112407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).