2-(cyclopropylmethoxymethyl)-4-nitro-N-propylaniline

C14H20N2O3 — CID 62194303

IUPAC2-(cyclopropylmethoxymethyl)-4-nitro-N-propylaniline
SMILESCCCNc1ccc([N+](=O)[O-])cc1COCC1CC1
InChIInChI=1S/C14H20N2O3/c1-2-7-15-14-6-5-13(16(17)18)8-12(14)10-19-9-11-3-4-11/h5-6,8,11,15H,2-4,7,9-10H2,1H3
InChIKeyCESSUWPVIXAYEA-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.34
Rot. Bonds8

About 2-(cyclopropylmethoxymethyl)-4-nitro-N-propylaniline

2-(cyclopropylmethoxymethyl)-4-nitro-N-propylaniline (PubChem CID 62194303) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(cyclopropylmethoxymethyl)-4-nitro-N-propylaniline.

Molecular Properties

Compound Name2-(cyclopropylmethoxymethyl)-4-nitro-N-propylaniline
PubChem CID62194303
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(cyclopropylmethoxymethyl)-4-nitro-N-propylaniline
SMILESCCCNc1ccc([N+](=O)[O-])cc1COCC1CC1
InChIInChI=1S/C14H20N2O3/c1-2-7-15-14-6-5-13(16(17)18)8-12(14)10-19-9-11-3-4-11/h5-6,8,11,15H,2-4,7,9-10H2,1H3
InChIKeyCESSUWPVIXAYEA-UHFFFAOYSA-N
XLogP3.34
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
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-(cyclopropylmethoxymethyl)-2-nitro-N-propylaniline
CID 55044979
2-(cyclopropylmethoxymethyl)-4-nitroaniline
CID 62194301
2-[[cyclopropyl(methyl)amino]methyl]-4-nitro-N-propylaniline
CID 62183419
N-[[2-(cyclopropylmethoxymethoxy)-5-nitrophenyl]methyl]propan-1-amine
CID 106929182
2-[(2-methylpyrrolidin-1-yl)methyl]-4-nitro-N-propylaniline
CID 62177504
1-chloro-2-(cyclopentylmethoxymethyl)-4-nitrobenzene
CID 66321968
N-methyl-4-nitro-2-(propoxymethyl)aniline
CID 62195376
4-nitro-2-(propan-2-ylsulfanylmethyl)-N-propylaniline
CID 62188275
N-cyclobutyl-5-nitro-2-(propylamino)benzenesulfonamide
CID 62415030
2-methyl-N-[(4-methylcyclohexyl)methyl]-4-nitroaniline
CID 55224775
[2-(2-butoxyethoxymethyl)-4-nitrophenyl]hydrazine
CID 62244516
2-[[5-nitro-2-(propylamino)phenyl]methylsulfanyl]ethanol
CID 62190026

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxymethyl)-4-nitro-N-propylaniline?
The IUPAC name of 2-(cyclopropylmethoxymethyl)-4-nitro-N-propylaniline (CID 62194303) is 2-(cyclopropylmethoxymethyl)-4-nitro-N-propylaniline.
What is the SMILES notation for 2-(cyclopropylmethoxymethyl)-4-nitro-N-propylaniline?
The canonical SMILES for 2-(cyclopropylmethoxymethyl)-4-nitro-N-propylaniline is CCCNc1ccc([N+](=O)[O-])cc1COCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxymethyl)-4-nitro-N-propylaniline?
The InChIKey is CESSUWPVIXAYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-7-15-14-6-5-13(16(17)18)8-12(14)10-19-9-11-3-4-11/h5-6,8,11,15H,2-4,7,9-10H2,1H3.
What are the key properties of 2-(cyclopropylmethoxymethyl)-4-nitro-N-propylaniline?
2-(cyclopropylmethoxymethyl)-4-nitro-N-propylaniline has a molecular weight of 264.32 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxymethyl)-4-nitro-N-propylaniline is sourced from PubChem (CID 62194303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).