4-ethyl-3-nitro-N,N-dipropylaniline

C14H22N2O2 — CID 68587667

IUPAC4-ethyl-3-nitro-N,N-dipropylaniline
SMILESCCCN(CCC)c1ccc(CC)c([N+](=O)[O-])c1
InChIInChI=1S/C14H22N2O2/c1-4-9-15(10-5-2)13-8-7-12(6-3)14(11-13)16(17)18/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyCCSOTHAKBCAEOE-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.78
Rot. Bonds7

About 4-ethyl-3-nitro-N,N-dipropylaniline

4-ethyl-3-nitro-N,N-dipropylaniline (PubChem CID 68587667) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-ethyl-3-nitro-N,N-dipropylaniline.

Molecular Properties

Compound Name4-ethyl-3-nitro-N,N-dipropylaniline
PubChem CID68587667
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-ethyl-3-nitro-N,N-dipropylaniline
SMILESCCCN(CCC)c1ccc(CC)c([N+](=O)[O-])c1
InChIInChI=1S/C14H22N2O2/c1-4-9-15(10-5-2)13-8-7-12(6-3)14(11-13)16(17)18/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyCCSOTHAKBCAEOE-UHFFFAOYSA-N
XLogP3.78
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-nitro-4-N,4-N-dipropylbenzene-1,4-diamine
CID 154940241
3-nitro-4-prop-1-en-2-yl-N,N-dipropylaniline
CID 155580573
2-(4-methyl-3-nitro-N-propylanilino)ethanol
CID 62911117
2-(3-ethoxy-4-nitro-N-propylanilino)ethanol
CID 63676653
4-(dipentylamino)-2-nitrobenzonitrile
CID 11472188
methyl 2-(4-methyl-3-nitro-N-propylanilino)acetate
CID 62911973
[2-nitro-5-[propyl(prop-2-ynyl)amino]phenyl]methanol
CID 114057799
2,2-dimethyl-N'-(4-methyl-3-nitrophenyl)-N'-propylpropane-1,3-diamine
CID 79662040
2-(3-methyl-4-nitro-N-propylanilino)acetic acid
CID 61009102
4-[4-[2-(3-fluoro-4-nitrophenyl)ethenyl]phenyl]-N,N-dipropylaniline
CID 67930368
N-butyl-N-ethyl-3-iodo-4-nitroaniline
CID 106493796
N-butyl-4-ethyl-3-nitroaniline
CID 43733217

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-nitro-N,N-dipropylaniline?
The IUPAC name of 4-ethyl-3-nitro-N,N-dipropylaniline (CID 68587667) is 4-ethyl-3-nitro-N,N-dipropylaniline.
What is the SMILES notation for 4-ethyl-3-nitro-N,N-dipropylaniline?
The canonical SMILES for 4-ethyl-3-nitro-N,N-dipropylaniline is CCCN(CCC)c1ccc(CC)c([N+](=O)[O-])c1.
What is the InChIKey of 4-ethyl-3-nitro-N,N-dipropylaniline?
The InChIKey is CCSOTHAKBCAEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-9-15(10-5-2)13-8-7-12(6-3)14(11-13)16(17)18/h7-8,11H,4-6,9-10H2,1-3H3.
What are the key properties of 4-ethyl-3-nitro-N,N-dipropylaniline?
4-ethyl-3-nitro-N,N-dipropylaniline has a molecular weight of 250.34 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-nitro-N,N-dipropylaniline is sourced from PubChem (CID 68587667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).