N-[2-(4-nitrophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine

C15H23N3O2 — CID 79540548

IUPACN-[2-(4-nitrophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
SMILESCC(CC1CCCN1)NCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H23N3O2/c1-12(11-14-3-2-9-17-14)16-10-8-13-4-6-15(7-5-13)18(19)20/h4-7,12,14,16-17H,2-3,8-11H2,1H3
InChIKeyRDHIBSIULPIUFA-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.26
Rot. Bonds7

About N-[2-(4-nitrophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine

N-[2-(4-nitrophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine (PubChem CID 79540548) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[2-(4-nitrophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(4-nitrophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
PubChem CID79540548
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[2-(4-nitrophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
SMILESCC(CC1CCCN1)NCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H23N3O2/c1-12(11-14-3-2-9-17-14)16-10-8-13-4-6-15(7-5-13)18(19)20/h4-7,12,14,16-17H,2-3,8-11H2,1H3
InChIKeyRDHIBSIULPIUFA-UHFFFAOYSA-N
XLogP2.26
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]phenol
CID 79536773
1-(azepan-2-yl)-N-[2-(4-fluorophenyl)ethyl]propan-2-amine
CID 79553439
N-[4-(4-nitrophenyl)butyl]-2-pyrrolidin-2-ylacetamide
CID 119778328
2-bromo-4-nitro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540045
2-(4-nitrophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 55084672
N-[2-(furan-2-yl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79540382
N-[(2-methyl-3-nitrophenyl)methyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 103114742
4-methoxy-4-methyl-N-[2-(4-nitrophenyl)ethyl]pentan-2-amine
CID 61220619
N-methyl-N-[(4-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine
CID 106622922
N'-(1-pyrrolidin-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79540795
3-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid
CID 79541025
N-(2-cyclopropylethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541627

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-nitrophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine?
The IUPAC name of N-[2-(4-nitrophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine (CID 79540548) is N-[2-(4-nitrophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-(4-nitrophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine?
The canonical SMILES for N-[2-(4-nitrophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine is CC(CC1CCCN1)NCCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[2-(4-nitrophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine?
The InChIKey is RDHIBSIULPIUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12(11-14-3-2-9-17-14)16-10-8-13-4-6-15(7-5-13)18(19)20/h4-7,12,14,16-17H,2-3,8-11H2,1H3.
What are the key properties of N-[2-(4-nitrophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine?
N-[2-(4-nitrophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine has a molecular weight of 277.37 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-nitrophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine is sourced from PubChem (CID 79540548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).