3-(3-nitrophenoxy)-N,N-dipropylpropan-1-amine

C15H24N2O3 — CID 22012920

IUPAC3-(3-nitrophenoxy)-N,N-dipropylpropan-1-amine
SMILESCCCN(CCC)CCCOc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H24N2O3/c1-3-9-16(10-4-2)11-6-12-20-15-8-5-7-14(13-15)17(18)19/h5,7-8,13H,3-4,6,9-12H2,1-2H3
InChIKeyNBNGHXVBOBDLCU-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.49
Rot. Bonds10

About 3-(3-nitrophenoxy)-N,N-dipropylpropan-1-amine

3-(3-nitrophenoxy)-N,N-dipropylpropan-1-amine (PubChem CID 22012920) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-(3-nitrophenoxy)-N,N-dipropylpropan-1-amine.

Molecular Properties

Compound Name3-(3-nitrophenoxy)-N,N-dipropylpropan-1-amine
PubChem CID22012920
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-(3-nitrophenoxy)-N,N-dipropylpropan-1-amine
SMILESCCCN(CCC)CCCOc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H24N2O3/c1-3-9-16(10-4-2)11-6-12-20-15-8-5-7-14(13-15)17(18)19/h5,7-8,13H,3-4,6,9-12H2,1-2H3
InChIKeyNBNGHXVBOBDLCU-UHFFFAOYSA-N
XLogP3.49
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-nitro-3-octoxybenzene
CID 3442932
N,N-bis(2-chloroethyl)-4-(3-nitrophenoxy)butan-1-amine
CID 57448093
1-nitro-3-[4-(3-nitrophenoxy)butoxy]benzene
CID 606509
1-(2-ethylsulfanylethoxy)-3-nitrobenzene
CID 60542074
N',N'-dimethyl-N-[4-(3-nitrophenoxy)butyl]ethane-1,2-diamine
CID 2966104
N-methyl-N-[3-(3-nitrophenoxy)propyl]thiophen-3-amine
CID 86203088
3-[4-(3-nitrophenoxy)butoxy]benzonitrile
CID 125468946
1-nitro-3-pent-4-enoxybenzene
CID 11183362
4-(3-nitrophenoxy)butan-2-one
CID 60693072
bis(1-nitro-3-[(3-nitrophenoxy)methoxy]benzene);dihydrochloride
CID 173396711
4-[2-(3-nitrophenoxy)ethoxy]benzonitrile
CID 27015053
1-[2-(bromomethyl)pentoxy]-3-nitrobenzene
CID 65011553

Frequently Asked Questions

What is the IUPAC name of 3-(3-nitrophenoxy)-N,N-dipropylpropan-1-amine?
The IUPAC name of 3-(3-nitrophenoxy)-N,N-dipropylpropan-1-amine (CID 22012920) is 3-(3-nitrophenoxy)-N,N-dipropylpropan-1-amine.
What is the SMILES notation for 3-(3-nitrophenoxy)-N,N-dipropylpropan-1-amine?
The canonical SMILES for 3-(3-nitrophenoxy)-N,N-dipropylpropan-1-amine is CCCN(CCC)CCCOc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-(3-nitrophenoxy)-N,N-dipropylpropan-1-amine?
The InChIKey is NBNGHXVBOBDLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-9-16(10-4-2)11-6-12-20-15-8-5-7-14(13-15)17(18)19/h5,7-8,13H,3-4,6,9-12H2,1-2H3.
What are the key properties of 3-(3-nitrophenoxy)-N,N-dipropylpropan-1-amine?
3-(3-nitrophenoxy)-N,N-dipropylpropan-1-amine has a molecular weight of 280.37 g/mol, XLogP of 3.49, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-nitrophenoxy)-N,N-dipropylpropan-1-amine is sourced from PubChem (CID 22012920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).