5-methoxy-4-N-[2-(4-nitrophenyl)ethyl]pentane-1,4-diamine

C14H23N3O3 — CID 103389472

IUPAC5-methoxy-4-N-[2-(4-nitrophenyl)ethyl]pentane-1,4-diamine
SMILESCOCC(CCCN)NCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H23N3O3/c1-20-11-13(3-2-9-15)16-10-8-12-4-6-14(7-5-12)17(18)19/h4-7,13,16H,2-3,8-11,15H2,1H3
InChIKeyJGACSFGVFQPJNW-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.48
Rot. Bonds10

About 5-methoxy-4-N-[2-(4-nitrophenyl)ethyl]pentane-1,4-diamine

5-methoxy-4-N-[2-(4-nitrophenyl)ethyl]pentane-1,4-diamine (PubChem CID 103389472) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-methoxy-4-N-[2-(4-nitrophenyl)ethyl]pentane-1,4-diamine.

Molecular Properties

Compound Name5-methoxy-4-N-[2-(4-nitrophenyl)ethyl]pentane-1,4-diamine
PubChem CID103389472
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name5-methoxy-4-N-[2-(4-nitrophenyl)ethyl]pentane-1,4-diamine
SMILESCOCC(CCCN)NCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H23N3O3/c1-20-11-13(3-2-9-15)16-10-8-12-4-6-14(7-5-12)17(18)19/h4-7,13,16H,2-3,8-11,15H2,1H3
InChIKeyJGACSFGVFQPJNW-UHFFFAOYSA-N
XLogP1.48
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
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

2-amino-3-methoxy-N-[2-(4-nitrophenyl)ethyl]propanamide;hydrochloride
CID 120987128
methyl 2-[2-(4-nitrophenyl)ethylamino]butanoate
CID 115353228
4-N-(3-fluoro-5-nitrophenyl)-5-methoxypentane-1,4-diamine
CID 107334413
4-methoxy-4-methyl-N-[2-(4-nitrophenyl)ethyl]pentan-2-amine
CID 61220619
ethyl 2-[2-(4-nitrophenyl)ethylamino]pentanoate
CID 79037084
2-methoxy-N-[2-(4-nitrophenyl)ethyl]ethanesulfonamide
CID 110311225
2-[4-[2-(4-nitrophenoxy)ethoxy]phenyl]ethanamine
CID 142384195
2-methoxy-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 47367990
(1R)-1-(4-fluorophenyl)-N-[2-(4-nitrophenyl)ethyl]ethanamine
CID 81347642
4-N-(2-fluoro-6-nitrophenyl)-5-methoxypentane-1,4-diamine
CID 103390453
4-(3-fluoro-5-nitrophenyl)-1-methoxy-N-propylbutan-2-amine
CID 115980842
5-methoxy-4-N-(2-methyl-3-nitrophenyl)pentane-1,4-diamine
CID 103388500

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-N-[2-(4-nitrophenyl)ethyl]pentane-1,4-diamine?
The IUPAC name of 5-methoxy-4-N-[2-(4-nitrophenyl)ethyl]pentane-1,4-diamine (CID 103389472) is 5-methoxy-4-N-[2-(4-nitrophenyl)ethyl]pentane-1,4-diamine.
What is the SMILES notation for 5-methoxy-4-N-[2-(4-nitrophenyl)ethyl]pentane-1,4-diamine?
The canonical SMILES for 5-methoxy-4-N-[2-(4-nitrophenyl)ethyl]pentane-1,4-diamine is COCC(CCCN)NCCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 5-methoxy-4-N-[2-(4-nitrophenyl)ethyl]pentane-1,4-diamine?
The InChIKey is JGACSFGVFQPJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-20-11-13(3-2-9-15)16-10-8-12-4-6-14(7-5-12)17(18)19/h4-7,13,16H,2-3,8-11,15H2,1H3.
What are the key properties of 5-methoxy-4-N-[2-(4-nitrophenyl)ethyl]pentane-1,4-diamine?
5-methoxy-4-N-[2-(4-nitrophenyl)ethyl]pentane-1,4-diamine has a molecular weight of 281.36 g/mol, XLogP of 1.48, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-N-[2-(4-nitrophenyl)ethyl]pentane-1,4-diamine is sourced from PubChem (CID 103389472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).