N-(pyrrolidin-3-ylmethyl)aniline

C11H16N2 — CID 12889914

IUPACN-(pyrrolidin-3-ylmethyl)aniline
SMILESc1ccc(NCC2CCNC2)cc1
InChIInChI=1S/C11H16N2/c1-2-4-11(5-3-1)13-9-10-6-7-12-8-10/h1-5,10,12-13H,6-9H2
InChIKeyLJLPDRJTOSIOAB-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.71
Rot. Bonds3

About N-(pyrrolidin-3-ylmethyl)aniline

N-(pyrrolidin-3-ylmethyl)aniline (PubChem CID 12889914) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-(pyrrolidin-3-ylmethyl)aniline.

Molecular Properties

Compound NameN-(pyrrolidin-3-ylmethyl)aniline
PubChem CID12889914
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-(pyrrolidin-3-ylmethyl)aniline
SMILESc1ccc(NCC2CCNC2)cc1
InChIInChI=1S/C11H16N2/c1-2-4-11(5-3-1)13-9-10-6-7-12-8-10/h1-5,10,12-13H,6-9H2
InChIKeyLJLPDRJTOSIOAB-UHFFFAOYSA-N
XLogP1.71
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 63006481
N-benzyl-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 10726362
4-(4-chlorophenoxy)-N-(pyrrolidin-3-ylmethyl)aniline
CID 86273324
N-(2-piperidin-4-ylethyl)aniline
CID 4778278
5-phenyl-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine
CID 129247013
4-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020016
2-(pyrrolidin-3-ylmethylamino)benzonitrile
CID 80563808
3-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020017
2-methylsulfonyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 80563795
N-[[4-(anilinomethyl)cyclohexyl]methyl]aniline;ethane;methanol
CID 143136691
N-phenyl-2-pyrrolidin-3-ylethanesulfonamide
CID 115047411
4-methoxy-N-(piperidin-3-ylmethyl)aniline
CID 79018605

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-3-ylmethyl)aniline?
The IUPAC name of N-(pyrrolidin-3-ylmethyl)aniline (CID 12889914) is N-(pyrrolidin-3-ylmethyl)aniline.
What is the SMILES notation for N-(pyrrolidin-3-ylmethyl)aniline?
The canonical SMILES for N-(pyrrolidin-3-ylmethyl)aniline is c1ccc(NCC2CCNC2)cc1.
What is the InChIKey of N-(pyrrolidin-3-ylmethyl)aniline?
The InChIKey is LJLPDRJTOSIOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-2-4-11(5-3-1)13-9-10-6-7-12-8-10/h1-5,10,12-13H,6-9H2.
What are the key properties of N-(pyrrolidin-3-ylmethyl)aniline?
N-(pyrrolidin-3-ylmethyl)aniline has a molecular weight of 176.26 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-3-ylmethyl)aniline is sourced from PubChem (CID 12889914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).