(2-nitrophenyl)-phenylmethanone;propan-1-amine

C16H18N2O3 — CID 20502317

IUPAC(2-nitrophenyl)-phenylmethanone;propan-1-amine
SMILESCCCN.O=C(c1ccccc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H9NO3.C3H9N/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17;1-2-3-4/h1-9H;2-4H2,1H3
InChIKeyDZJWKGDCFUKZNE-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.18
Rot. Bonds4

About (2-nitrophenyl)-phenylmethanone;propan-1-amine

(2-nitrophenyl)-phenylmethanone;propan-1-amine (PubChem CID 20502317) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2-nitrophenyl)-phenylmethanone;propan-1-amine.

Molecular Properties

Compound Name(2-nitrophenyl)-phenylmethanone;propan-1-amine
PubChem CID20502317
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(2-nitrophenyl)-phenylmethanone;propan-1-amine
SMILESCCCN.O=C(c1ccccc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H9NO3.C3H9N/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17;1-2-3-4/h1-9H;2-4H2,1H3
InChIKeyDZJWKGDCFUKZNE-UHFFFAOYSA-N
XLogP3.18
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.18
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

2-aminoacetic acid;(2-nitrophenyl)-phenylmethanone
CID 174848251
acetic acid;(2-nitrophenyl)-phenylmethanone
CID 172806545
ethyl carbamate;(2-nitrophenyl)-phenylmethanone
CID 162206932
azane;carbamic acid;(2-nitrophenyl)-phenylmethanone
CID 174845274
(2-nitrophenyl)-phenylmethanone;2-oxopropanoic acid
CID 174621334
methanimine;(2-nitrophenyl)-phenylmethanone
CID 174799548
(2-nitrophenyl)-phenylmethanone;pentanal
CID 174293543
acetonitrile;(2-nitrophenyl)-phenylmethanone
CID 161021421
dihydroxy(oxo)phosphanium;(2-nitrophenyl)-phenylmethanone
CID 174984132
hexanal;(2-nitrophenyl)-phenylmethanone
CID 174285873
isothiocyanic acid;(2-nitrophenyl)-phenylmethanone
CID 174455888
acetamide;(4-chlorophenyl)-(2-nitrophenyl)methanone
CID 70358542

Frequently Asked Questions

What is the IUPAC name of (2-nitrophenyl)-phenylmethanone;propan-1-amine?
The IUPAC name of (2-nitrophenyl)-phenylmethanone;propan-1-amine (CID 20502317) is (2-nitrophenyl)-phenylmethanone;propan-1-amine.
What is the SMILES notation for (2-nitrophenyl)-phenylmethanone;propan-1-amine?
The canonical SMILES for (2-nitrophenyl)-phenylmethanone;propan-1-amine is CCCN.O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of (2-nitrophenyl)-phenylmethanone;propan-1-amine?
The InChIKey is DZJWKGDCFUKZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3.C3H9N/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17;1-2-3-4/h1-9H;2-4H2,1H3.
What are the key properties of (2-nitrophenyl)-phenylmethanone;propan-1-amine?
(2-nitrophenyl)-phenylmethanone;propan-1-amine has a molecular weight of 286.33 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitrophenyl)-phenylmethanone;propan-1-amine is sourced from PubChem (CID 20502317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).