5-ethenyl-2-methoxy-4-nitro-N,N-dipropylaniline

C15H22N2O3 — CID 167231996

IUPAC5-ethenyl-2-methoxy-4-nitro-N,N-dipropylaniline
SMILESC=Cc1cc(N(CCC)CCC)c(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C15H22N2O3/c1-5-8-16(9-6-2)14-10-12(7-3)13(17(18)19)11-15(14)20-4/h7,10-11H,3,5-6,8-9H2,1-2,4H3
InChIKeyIYTFAHCBRPGMTI-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.87
Rot. Bonds8

About 5-ethenyl-2-methoxy-4-nitro-N,N-dipropylaniline

5-ethenyl-2-methoxy-4-nitro-N,N-dipropylaniline (PubChem CID 167231996) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 5-ethenyl-2-methoxy-4-nitro-N,N-dipropylaniline.

Molecular Properties

Compound Name5-ethenyl-2-methoxy-4-nitro-N,N-dipropylaniline
PubChem CID167231996
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name5-ethenyl-2-methoxy-4-nitro-N,N-dipropylaniline
SMILESC=Cc1cc(N(CCC)CCC)c(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C15H22N2O3/c1-5-8-16(9-6-2)14-10-12(7-3)13(17(18)19)11-15(14)20-4/h7,10-11H,3,5-6,8-9H2,1-2,4H3
InChIKeyIYTFAHCBRPGMTI-UHFFFAOYSA-N
XLogP3.87
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
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

1-ethenyl-2,5-dimethoxy-4-nitrobenzene
CID 54152856
1-ethenyl-2-fluoro-5-methoxy-4-nitrobenzene
CID 59452963
4-hexoxy-5-methoxy-2-nitrobenzaldehyde
CID 43311603
1-ethenyl-2-methyl-4-nitro-5-propoxybenzene
CID 67071026
methyl 5-formyl-2-methoxy-4-nitrobenzoate
CID 171024024
3-(4,5-dimethoxy-2-nitrophenyl)butan-2-ol
CID 83008421
3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enal
CID 54315550
2-[N-(2-hydroxyethyl)-2-methoxy-5-nitroanilino]ethanol
CID 4640416
9-[(4,5-dimethoxy-2-nitrophenyl)methylidene]fluorene
CID 101464411
1-chloro-2-methoxy-4-nitro-5-prop-2-enoxybenzene
CID 71300245
4,5-dimethoxy-2-nitro-N-propylaniline
CID 83008389
1-(4,5-dimethoxy-2-nitrophenyl)butan-2-one
CID 83008688

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-methoxy-4-nitro-N,N-dipropylaniline?
The IUPAC name of 5-ethenyl-2-methoxy-4-nitro-N,N-dipropylaniline (CID 167231996) is 5-ethenyl-2-methoxy-4-nitro-N,N-dipropylaniline.
What is the SMILES notation for 5-ethenyl-2-methoxy-4-nitro-N,N-dipropylaniline?
The canonical SMILES for 5-ethenyl-2-methoxy-4-nitro-N,N-dipropylaniline is C=Cc1cc(N(CCC)CCC)c(OC)cc1[N+](=O)[O-].
What is the InChIKey of 5-ethenyl-2-methoxy-4-nitro-N,N-dipropylaniline?
The InChIKey is IYTFAHCBRPGMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-5-8-16(9-6-2)14-10-12(7-3)13(17(18)19)11-15(14)20-4/h7,10-11H,3,5-6,8-9H2,1-2,4H3.
What are the key properties of 5-ethenyl-2-methoxy-4-nitro-N,N-dipropylaniline?
5-ethenyl-2-methoxy-4-nitro-N,N-dipropylaniline has a molecular weight of 278.35 g/mol, XLogP of 3.87, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-methoxy-4-nitro-N,N-dipropylaniline is sourced from PubChem (CID 167231996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).