N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine

C13H20N2 — CID 81349453

IUPACN-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
SMILESCc1ccc([C@@H](C)NC2CCNC2)cc1
InChIInChI=1S/C13H20N2/c1-10-3-5-12(6-4-10)11(2)15-13-7-8-14-9-13/h3-6,11,13-15H,7-9H2,1-2H3/t11-,13?/m1/s1
InChIKeyNRLBIJIXTOBBFX-JTDNENJMSA-N
MW204.32 g/mol
LogP2.01
Rot. Bonds3

About N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine

N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine (PubChem CID 81349453) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
PubChem CID81349453
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
SMILESCc1ccc([C@@H](C)NC2CCNC2)cc1
InChIInChI=1S/C13H20N2/c1-10-3-5-12(6-4-10)11(2)15-13-7-8-14-9-13/h3-6,11,13-15H,7-9H2,1-2H3/t11-,13?/m1/s1
InChIKeyNRLBIJIXTOBBFX-JTDNENJMSA-N
XLogP2.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 65015
CID 65015
CID 66024
CID 66024
CID 77801
CID 77801
CID 76908
CID 76908
CID 261892
CID 261892
CID 66029
CID 66029
CID 75467
CID 75467
CID 577403
CID 577403
CID 44411213
CID 44411213
CID 21518
CID 21518
CID 18525875
CID 18525875
CID 427071
CID 427071

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine?
The IUPAC name of N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine (CID 81349453) is N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine is Cc1ccc([C@@H](C)NC2CCNC2)cc1.
What is the InChIKey of N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine?
The InChIKey is NRLBIJIXTOBBFX-JTDNENJMSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-3-5-12(6-4-10)11(2)15-13-7-8-14-9-13/h3-6,11,13-15H,7-9H2,1-2H3/t11-,13?/m1/s1.
What are the key properties of N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine?
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine has a molecular weight of 204.32 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 81349453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).