N-[[(2S)-pyrrolidin-2-yl]methyl]aniline

C11H16N2 — CID 6950385

IUPACN-[[(2S)-pyrrolidin-2-yl]methyl]aniline
SMILESc1ccc(NC[C@@H]2CCCN2)cc1
InChIInChI=1S/C11H16N2/c1-2-5-10(6-3-1)13-9-11-7-4-8-12-11/h1-3,5-6,11-13H,4,7-9H2/t11-/m0/s1
InChIKeyMCHWKJRTMPIHRA-NSHDSACASA-N
MW176.26 g/mol
LogP1.85
Rot. Bonds3

About N-[[(2S)-pyrrolidin-2-yl]methyl]aniline

N-[[(2S)-pyrrolidin-2-yl]methyl]aniline (PubChem CID 6950385) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-[[(2S)-pyrrolidin-2-yl]methyl]aniline.

Molecular Properties

Compound NameN-[[(2S)-pyrrolidin-2-yl]methyl]aniline
PubChem CID6950385
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-[[(2S)-pyrrolidin-2-yl]methyl]aniline
SMILESc1ccc(NC[C@@H]2CCCN2)cc1
InChIInChI=1S/C11H16N2/c1-2-5-10(6-3-1)13-9-11-7-4-8-12-11/h1-3,5-6,11-13H,4,7-9H2/t11-/m0/s1
InChIKeyMCHWKJRTMPIHRA-NSHDSACASA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-pyrrolidin-2-yl]methyl]aniline?
The IUPAC name of N-[[(2S)-pyrrolidin-2-yl]methyl]aniline (CID 6950385) is N-[[(2S)-pyrrolidin-2-yl]methyl]aniline.
What is the SMILES notation for N-[[(2S)-pyrrolidin-2-yl]methyl]aniline?
The canonical SMILES for N-[[(2S)-pyrrolidin-2-yl]methyl]aniline is c1ccc(NC[C@@H]2CCCN2)cc1.
What is the InChIKey of N-[[(2S)-pyrrolidin-2-yl]methyl]aniline?
The InChIKey is MCHWKJRTMPIHRA-NSHDSACASA-N. The full InChI is InChI=1S/C11H16N2/c1-2-5-10(6-3-1)13-9-11-7-4-8-12-11/h1-3,5-6,11-13H,4,7-9H2/t11-/m0/s1.
What are the key properties of N-[[(2S)-pyrrolidin-2-yl]methyl]aniline?
N-[[(2S)-pyrrolidin-2-yl]methyl]aniline has a molecular weight of 176.26 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-pyrrolidin-2-yl]methyl]aniline is sourced from PubChem (CID 6950385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).