4-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)aniline

C15H19N3 — CID 62329566

IUPAC4-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)aniline
SMILESc1c[nH]c(CNc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C15H19N3/c1-2-11-18(10-1)15-7-5-13(6-8-15)17-12-14-4-3-9-16-14/h3-9,16-17H,1-2,10-12H2
InChIKeyRHATVJPWHCVCJS-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.23
Rot. Bonds4

About 4-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)aniline

4-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)aniline (PubChem CID 62329566) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)aniline
PubChem CID62329566
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name4-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)aniline
SMILESc1c[nH]c(CNc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C15H19N3/c1-2-11-18(10-1)15-7-5-13(6-8-15)17-12-14-4-3-9-16-14/h3-9,16-17H,1-2,10-12H2
InChIKeyRHATVJPWHCVCJS-UHFFFAOYSA-N
XLogP3.23
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-4-pyrrolidin-1-ylaniline
CID 918774
4-iodo-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62329060
N-[(3,5-dichlorophenyl)methyl]-4-pyrrolidin-1-ylaniline
CID 60790170
4-[(4-piperidin-1-ylanilino)methyl]aniline
CID 83949136
N-ethyl-4-piperidin-1-ylaniline;dihydrochloride
CID 23366971
N-[(3-methylphenyl)methyl]-4-piperidin-1-ylaniline
CID 39380681
N-[(5-ethylfuran-2-yl)methyl]-4-pyrrolidin-1-ylaniline
CID 62347242
4-piperidin-1-yl-N-(thiophen-3-ylmethyl)aniline
CID 43715642
4-[(4-pyrrolidin-1-ylanilino)methyl]benzene-1,2-diol
CID 43732176
N-[(E)-3-chloroprop-2-enyl]-4-piperidin-1-ylaniline
CID 103791977
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-piperidin-1-ylaniline
CID 43715681
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-piperidin-1-ylaniline
CID 79568946

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)aniline?
The IUPAC name of 4-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)aniline (CID 62329566) is 4-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)aniline.
What is the SMILES notation for 4-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)aniline?
The canonical SMILES for 4-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)aniline is c1c[nH]c(CNc2ccc(N3CCCC3)cc2)c1.
What is the InChIKey of 4-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)aniline?
The InChIKey is RHATVJPWHCVCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-11-18(10-1)15-7-5-13(6-8-15)17-12-14-4-3-9-16-14/h3-9,16-17H,1-2,10-12H2.
What are the key properties of 4-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)aniline?
4-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)aniline has a molecular weight of 241.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)aniline is sourced from PubChem (CID 62329566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).