N-benzyl-4-pyrrolidin-1-ylaniline

C17H20N2 — CID 918774

IUPACN-benzyl-4-pyrrolidin-1-ylaniline
SMILESc1ccc(CNc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C17H20N2/c1-2-6-15(7-3-1)14-18-16-8-10-17(11-9-16)19-12-4-5-13-19/h1-3,6-11,18H,4-5,12-14H2
InChIKeyKNVYCKJRUNHAOX-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.90
Rot. Bonds4

About N-benzyl-4-pyrrolidin-1-ylaniline

N-benzyl-4-pyrrolidin-1-ylaniline (PubChem CID 918774) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-benzyl-4-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-benzyl-4-pyrrolidin-1-ylaniline
PubChem CID918774
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC NameN-benzyl-4-pyrrolidin-1-ylaniline
SMILESc1ccc(CNc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C17H20N2/c1-2-6-15(7-3-1)14-18-16-8-10-17(11-9-16)19-12-4-5-13-19/h1-3,6-11,18H,4-5,12-14H2
InChIKeyKNVYCKJRUNHAOX-UHFFFAOYSA-N
XLogP3.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
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-(4-ethylpiperazin-1-yl)aniline
CID 112721983
4-[(4-piperidin-1-ylanilino)methyl]aniline
CID 83949136
N-[(3-methylphenyl)methyl]-4-piperidin-1-ylaniline
CID 39380681
N-benzyl-4-(4-propylpiperazin-1-yl)aniline
CID 112721259
N-[(3,5-dichlorophenyl)methyl]-4-pyrrolidin-1-ylaniline
CID 60790170
4-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]aniline
CID 1017282
4-piperidin-1-yl-N-(thiophen-3-ylmethyl)aniline
CID 43715642
4-[(4-pyrrolidin-1-ylanilino)methyl]benzene-1,2-diol
CID 43732176
2-N-benzyl-6-methyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112915742
3-fluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43762165
N-benzyl-4-(4-phenylpiperazin-1-yl)sulfonylaniline
CID 90987929
2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine
CID 55378279

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-pyrrolidin-1-ylaniline?
The IUPAC name of N-benzyl-4-pyrrolidin-1-ylaniline (CID 918774) is N-benzyl-4-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-benzyl-4-pyrrolidin-1-ylaniline?
The canonical SMILES for N-benzyl-4-pyrrolidin-1-ylaniline is c1ccc(CNc2ccc(N3CCCC3)cc2)cc1.
What is the InChIKey of N-benzyl-4-pyrrolidin-1-ylaniline?
The InChIKey is KNVYCKJRUNHAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-2-6-15(7-3-1)14-18-16-8-10-17(11-9-16)19-12-4-5-13-19/h1-3,6-11,18H,4-5,12-14H2.
What are the key properties of N-benzyl-4-pyrrolidin-1-ylaniline?
N-benzyl-4-pyrrolidin-1-ylaniline has a molecular weight of 252.36 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-pyrrolidin-1-ylaniline is sourced from PubChem (CID 918774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).