N-ethyl-3-(4-nitrophenyl)-N-propylpropan-1-amine

C14H22N2O2 — CID 68519226

IUPACN-ethyl-3-(4-nitrophenyl)-N-propylpropan-1-amine
SMILESCCCN(CC)CCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H22N2O2/c1-3-11-15(4-2)12-5-6-13-7-9-14(10-8-13)16(17)18/h7-10H,3-6,11-12H2,1-2H3
InChIKeyRVAQKWZSXLIKBD-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.26
Rot. Bonds8

About N-ethyl-3-(4-nitrophenyl)-N-propylpropan-1-amine

N-ethyl-3-(4-nitrophenyl)-N-propylpropan-1-amine (PubChem CID 68519226) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-ethyl-3-(4-nitrophenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(4-nitrophenyl)-N-propylpropan-1-amine
PubChem CID68519226
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-ethyl-3-(4-nitrophenyl)-N-propylpropan-1-amine
SMILESCCCN(CC)CCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H22N2O2/c1-3-11-15(4-2)12-5-6-13-7-9-14(10-8-13)16(17)18/h7-10H,3-6,11-12H2,1-2H3
InChIKeyRVAQKWZSXLIKBD-UHFFFAOYSA-N
XLogP3.26
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.26
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

bis(N-ethyl-N-[4-(4-nitrophenyl)butyl]octan-1-amine);oxalic acid
CID 173432190
N-hexyl-N-[4-(4-nitrophenyl)butyl]hexan-1-amine
CID 12923057
N,N-diethyl-4-(4-nitrophenyl)butan-1-amine;oxalic acid
CID 173432870
ethane;1-nitro-4-propylbenzene
CID 123575523
N-benzyl-N-ethyl-2-(4-nitrophenyl)ethanamine;1-(2-bromoethyl)-4-nitrobenzene;butylbenzene
CID 159001909
2,2-dimethyl-N'-[2-(4-nitrophenyl)ethyl]-N'-propylpropane-1,3-diamine
CID 79665482
4-[4-[ethyl(propyl)amino]butyl]benzaldehyde
CID 142783933
[bis[3-(4-nitrophenyl)propyl]amino]methanedithiol
CID 162304211
1-butyl-4-[(Z)-2-(4-nitrophenyl)ethenyl]benzene
CID 59899422
1-nitro-4-propylbenzene;propan-1-amine
CID 144859121
N-[[4-(aminomethyl)phenyl]methyl]-N-[(4-methylsulfanylphenyl)methyl]-3-(4-nitrophenyl)propan-1-amine
CID 142934474
N-[4-(4-nitrophenyl)butyl]pentan-1-amine;hydrochloride
CID 173432321

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-nitrophenyl)-N-propylpropan-1-amine?
The IUPAC name of N-ethyl-3-(4-nitrophenyl)-N-propylpropan-1-amine (CID 68519226) is N-ethyl-3-(4-nitrophenyl)-N-propylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-(4-nitrophenyl)-N-propylpropan-1-amine?
The canonical SMILES for N-ethyl-3-(4-nitrophenyl)-N-propylpropan-1-amine is CCCN(CC)CCCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-ethyl-3-(4-nitrophenyl)-N-propylpropan-1-amine?
The InChIKey is RVAQKWZSXLIKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-11-15(4-2)12-5-6-13-7-9-14(10-8-13)16(17)18/h7-10H,3-6,11-12H2,1-2H3.
What are the key properties of N-ethyl-3-(4-nitrophenyl)-N-propylpropan-1-amine?
N-ethyl-3-(4-nitrophenyl)-N-propylpropan-1-amine has a molecular weight of 250.34 g/mol, XLogP of 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-nitrophenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 68519226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).