5-methoxy-2-nitro-N-propyl-N-(pyrrolidin-2-ylmethyl)aniline

C15H23N3O3 — CID 106619608

IUPAC5-methoxy-2-nitro-N-propyl-N-(pyrrolidin-2-ylmethyl)aniline
SMILESCCCN(CC1CCCN1)c1cc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O3/c1-3-9-17(11-12-5-4-8-16-12)15-10-13(21-2)6-7-14(15)18(19)20/h6-7,10,12,16H,3-5,8-9,11H2,1-2H3
InChIKeyMFXNZNQULNEVOE-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.57
Rot. Bonds7

About 5-methoxy-2-nitro-N-propyl-N-(pyrrolidin-2-ylmethyl)aniline

5-methoxy-2-nitro-N-propyl-N-(pyrrolidin-2-ylmethyl)aniline (PubChem CID 106619608) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-methoxy-2-nitro-N-propyl-N-(pyrrolidin-2-ylmethyl)aniline.

Molecular Properties

Compound Name5-methoxy-2-nitro-N-propyl-N-(pyrrolidin-2-ylmethyl)aniline
PubChem CID106619608
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name5-methoxy-2-nitro-N-propyl-N-(pyrrolidin-2-ylmethyl)aniline
SMILESCCCN(CC1CCCN1)c1cc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O3/c1-3-9-17(11-12-5-4-8-16-12)15-10-13(21-2)6-7-14(15)18(19)20/h6-7,10,12,16H,3-5,8-9,11H2,1-2H3
InChIKeyMFXNZNQULNEVOE-UHFFFAOYSA-N
XLogP2.57
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

5-chloro-N-ethyl-2-nitro-N-(pyrrolidin-2-ylmethyl)aniline
CID 106619287
2-methyl-4-nitro-N-propyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106619611
2-chloro-4-nitro-N-propyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106619709
(2R)-2-[(4-methoxy-2-nitrophenoxy)methyl]pyrrolidine
CID 102820051
1-N-(2-methoxyethyl)-4-nitro-1-N-(pyrrolidin-2-ylmethyl)benzene-1,3-diamine
CID 106750035
3-nitro-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine
CID 106642480
5-bromo-2-nitro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106619071
N-(4-methoxy-2-nitrophenyl)-N-propylpiperidin-3-amine
CID 63636836
2-nitro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106619014
4-bromo-N-ethyl-5-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641602
N-(2-methoxyethyl)-2-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)aniline
CID 106620883
4-methyl-N-(2-methylpropyl)-2-nitro-N-(pyrrolidin-2-ylmethyl)aniline
CID 106620616

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-nitro-N-propyl-N-(pyrrolidin-2-ylmethyl)aniline?
The IUPAC name of 5-methoxy-2-nitro-N-propyl-N-(pyrrolidin-2-ylmethyl)aniline (CID 106619608) is 5-methoxy-2-nitro-N-propyl-N-(pyrrolidin-2-ylmethyl)aniline.
What is the SMILES notation for 5-methoxy-2-nitro-N-propyl-N-(pyrrolidin-2-ylmethyl)aniline?
The canonical SMILES for 5-methoxy-2-nitro-N-propyl-N-(pyrrolidin-2-ylmethyl)aniline is CCCN(CC1CCCN1)c1cc(OC)ccc1[N+](=O)[O-].
What is the InChIKey of 5-methoxy-2-nitro-N-propyl-N-(pyrrolidin-2-ylmethyl)aniline?
The InChIKey is MFXNZNQULNEVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-9-17(11-12-5-4-8-16-12)15-10-13(21-2)6-7-14(15)18(19)20/h6-7,10,12,16H,3-5,8-9,11H2,1-2H3.
What are the key properties of 5-methoxy-2-nitro-N-propyl-N-(pyrrolidin-2-ylmethyl)aniline?
5-methoxy-2-nitro-N-propyl-N-(pyrrolidin-2-ylmethyl)aniline has a molecular weight of 293.37 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-nitro-N-propyl-N-(pyrrolidin-2-ylmethyl)aniline is sourced from PubChem (CID 106619608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).