5-(4-nitrophenoxy)-5-phenylpentan-1-amine

C17H20N2O3 — CID 118528015

IUPAC5-(4-nitrophenoxy)-5-phenylpentan-1-amine
SMILESNCCCCC(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C17H20N2O3/c18-13-5-4-8-17(14-6-2-1-3-7-14)22-16-11-9-15(10-12-16)19(20)21/h1-3,6-7,9-12,17H,4-5,8,13,18H2
InChIKeyOBWSTCISBQMBBN-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.84
Rot. Bonds8

About 5-(4-nitrophenoxy)-5-phenylpentan-1-amine

5-(4-nitrophenoxy)-5-phenylpentan-1-amine (PubChem CID 118528015) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-(4-nitrophenoxy)-5-phenylpentan-1-amine.

Molecular Properties

Compound Name5-(4-nitrophenoxy)-5-phenylpentan-1-amine
PubChem CID118528015
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name5-(4-nitrophenoxy)-5-phenylpentan-1-amine
SMILESNCCCCC(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C17H20N2O3/c18-13-5-4-8-17(14-6-2-1-3-7-14)22-16-11-9-15(10-12-16)19(20)21/h1-3,6-7,9-12,17H,4-5,8,13,18H2
InChIKeyOBWSTCISBQMBBN-UHFFFAOYSA-N
XLogP3.84
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
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

5-(4-ethylphenoxy)-5-phenylpentan-1-amine
CID 118528023
1-benzhydryloxy-4-nitrobenzene
CID 7434051
(3S)-3-phenoxy-3-phenylpropan-1-amine
CID 11736303
(1S)-1-(4-nitrophenyl)pentane-1,5-diamine
CID 171217751
4-methyl-N-[3-(4-nitrophenoxy)-3-phenylpropyl]benzenesulfonamide
CID 25139826
3-(4-nitrophenoxy)-1-phenylpropan-1-amine
CID 173162895
3-(4-chlorophenyl)-N,N-dimethyl-3-(4-nitrophenoxy)propan-1-amine
CID 12874828
3-(4-chlorophenyl)-N,N-dimethyl-3-(4-nitrophenoxy)propan-1-amine;hydrochloride
CID 12874829
(4-nitrophenyl) 6-amino-2-(phenylmethoxycarbonylamino)hexanoate
CID 587003
(2S,3R)-3-(4-nitrophenoxy)-3-phenylpropane-1,2-diol
CID 102380116
(2R)-2-(4-nitrophenoxy)-1,2-diphenylethanone
CID 7816651
1-nitro-4-[2-(1-phenylpropoxy)ethoxy]benzene
CID 67651624

Frequently Asked Questions

What is the IUPAC name of 5-(4-nitrophenoxy)-5-phenylpentan-1-amine?
The IUPAC name of 5-(4-nitrophenoxy)-5-phenylpentan-1-amine (CID 118528015) is 5-(4-nitrophenoxy)-5-phenylpentan-1-amine.
What is the SMILES notation for 5-(4-nitrophenoxy)-5-phenylpentan-1-amine?
The canonical SMILES for 5-(4-nitrophenoxy)-5-phenylpentan-1-amine is NCCCCC(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of 5-(4-nitrophenoxy)-5-phenylpentan-1-amine?
The InChIKey is OBWSTCISBQMBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c18-13-5-4-8-17(14-6-2-1-3-7-14)22-16-11-9-15(10-12-16)19(20)21/h1-3,6-7,9-12,17H,4-5,8,13,18H2.
What are the key properties of 5-(4-nitrophenoxy)-5-phenylpentan-1-amine?
5-(4-nitrophenoxy)-5-phenylpentan-1-amine has a molecular weight of 300.36 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-nitrophenoxy)-5-phenylpentan-1-amine is sourced from PubChem (CID 118528015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).