(2R,3S)-2-(3-aminophenyl)-1-propylpyrrolidin-3-amine

C13H21N3 — CID 178199859

IUPAC(2R,3S)-2-(3-aminophenyl)-1-propylpyrrolidin-3-amine
SMILESCCCN1CC[C@H](N)[C@H]1c1cccc(N)c1
InChIInChI=1S/C13H21N3/c1-2-7-16-8-6-12(15)13(16)10-4-3-5-11(14)9-10/h3-5,9,12-13H,2,6-8,14-15H2,1H3/t12-,13+/m0/s1
InChIKeyNYGPHRJWAWWNAU-QWHCGFSZSA-N
MW219.33 g/mol
LogP1.75
Rot. Bonds3

About (2R,3S)-2-(3-aminophenyl)-1-propylpyrrolidin-3-amine

(2R,3S)-2-(3-aminophenyl)-1-propylpyrrolidin-3-amine (PubChem CID 178199859) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is (2R,3S)-2-(3-aminophenyl)-1-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name(2R,3S)-2-(3-aminophenyl)-1-propylpyrrolidin-3-amine
PubChem CID178199859
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name(2R,3S)-2-(3-aminophenyl)-1-propylpyrrolidin-3-amine
SMILESCCCN1CC[C@H](N)[C@H]1c1cccc(N)c1
InChIInChI=1S/C13H21N3/c1-2-7-16-8-6-12(15)13(16)10-4-3-5-11(14)9-10/h3-5,9,12-13H,2,6-8,14-15H2,1H3/t12-,13+/m0/s1
InChIKeyNYGPHRJWAWWNAU-QWHCGFSZSA-N
XLogP1.75
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-methylaniline
CID 7603
1,2-Ethanediamine, N1-ethyl-N1-(3-methylphenyl)-
CID 87984
3-(Pyrrolidin-1-ylmethyl)aniline
CID 1096407
Benzenamine, 3-methyl-4-(1-pyrrolidinyl)-, hydrochloride (1:1)
CID 109673
4-[(2-Methylpiperidin-1-yl)methyl]aniline
CID 3159023
2-amino-N-cyclohexyl-N-methylbenzylamine
CID 93648
4-((4-Methylpiperazin-1-yl)methyl)aniline
CID 3153996
Amiflamine
CID 71221
N,N'-Ethylenedi-m-toluidine
CID 81493
3-((S)-1-Propyl-piperidin-3-yl)-phenylamine
CID 10013665
N,N-dimethyl-4-{[(propan-2-yl)amino]methyl}aniline
CID 2774184
1-benzyl-N-methylpyrrolidin-3-amine
CID 13787478

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(3-aminophenyl)-1-propylpyrrolidin-3-amine?
The IUPAC name of (2R,3S)-2-(3-aminophenyl)-1-propylpyrrolidin-3-amine (CID 178199859) is (2R,3S)-2-(3-aminophenyl)-1-propylpyrrolidin-3-amine.
What is the SMILES notation for (2R,3S)-2-(3-aminophenyl)-1-propylpyrrolidin-3-amine?
The canonical SMILES for (2R,3S)-2-(3-aminophenyl)-1-propylpyrrolidin-3-amine is CCCN1CC[C@H](N)[C@H]1c1cccc(N)c1.
What is the InChIKey of (2R,3S)-2-(3-aminophenyl)-1-propylpyrrolidin-3-amine?
The InChIKey is NYGPHRJWAWWNAU-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-7-16-8-6-12(15)13(16)10-4-3-5-11(14)9-10/h3-5,9,12-13H,2,6-8,14-15H2,1H3/t12-,13+/m0/s1.
What are the key properties of (2R,3S)-2-(3-aminophenyl)-1-propylpyrrolidin-3-amine?
(2R,3S)-2-(3-aminophenyl)-1-propylpyrrolidin-3-amine has a molecular weight of 219.33 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(3-aminophenyl)-1-propylpyrrolidin-3-amine is sourced from PubChem (CID 178199859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).