N'-[3-(4-nitro-2-phenylphenyl)propyl]ethane-1,2-diamine

C17H21N3O2 — CID 87780608

IUPACN'-[3-(4-nitro-2-phenylphenyl)propyl]ethane-1,2-diamine
SMILESNCCNCCCc1ccc([N+](=O)[O-])cc1-c1ccccc1
InChIInChI=1S/C17H21N3O2/c18-10-12-19-11-4-7-15-8-9-16(20(21)22)13-17(15)14-5-2-1-3-6-14/h1-3,5-6,8-9,13,19H,4,7,10-12,18H2
InChIKeyFYXQSYPMKSSGPV-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.74
Rot. Bonds8

About N'-[3-(4-nitro-2-phenylphenyl)propyl]ethane-1,2-diamine

N'-[3-(4-nitro-2-phenylphenyl)propyl]ethane-1,2-diamine (PubChem CID 87780608) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N'-[3-(4-nitro-2-phenylphenyl)propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-(4-nitro-2-phenylphenyl)propyl]ethane-1,2-diamine
PubChem CID87780608
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN'-[3-(4-nitro-2-phenylphenyl)propyl]ethane-1,2-diamine
SMILESNCCNCCCc1ccc([N+](=O)[O-])cc1-c1ccccc1
InChIInChI=1S/C17H21N3O2/c18-10-12-19-11-4-7-15-8-9-16(20(21)22)13-17(15)14-5-2-1-3-6-14/h1-3,5-6,8-9,13,19H,4,7,10-12,18H2
InChIKeyFYXQSYPMKSSGPV-UHFFFAOYSA-N
XLogP2.74
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
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

2-[2-[3-(2-aminoethylamino)propyl]-5-nitrophenyl]ethanol
CID 87779801
methyl 2-[3-(2-aminoethylamino)propyl]-5-nitrobenzoate
CID 87779834
4-nitro-1-[(4-nitro-2-phenylphenyl)methoxymethyl]-2-phenylbenzene
CID 88772999
2-(bromomethyl)-4-nitro-1-phenylbenzene
CID 14317417
3-(5-nitro-2-phenoxyphenyl)propan-1-amine
CID 170867550
N-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine
CID 43519927
N'-[(4-nitrophenyl)methyl]ethane-1,2-diamine
CID 57030248
4-nitro-2-phenyl-1-propan-2-ylbenzene
CID 71283713
4-(4-nitro-2-phenylphenyl)phenol
CID 174946678
(4-nitro-2-phenylphenyl)boronic acid
CID 150240507
N-[2-[3-(2-chloro-4-nitrophenyl)propylamino]ethyl]-7-phenylisoquinoline-5-sulfonamide
CID 91596036
2-(2-methyl-4-nitrophenyl)ethanamine
CID 130050826

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-nitro-2-phenylphenyl)propyl]ethane-1,2-diamine?
The IUPAC name of N'-[3-(4-nitro-2-phenylphenyl)propyl]ethane-1,2-diamine (CID 87780608) is N'-[3-(4-nitro-2-phenylphenyl)propyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[3-(4-nitro-2-phenylphenyl)propyl]ethane-1,2-diamine?
The canonical SMILES for N'-[3-(4-nitro-2-phenylphenyl)propyl]ethane-1,2-diamine is NCCNCCCc1ccc([N+](=O)[O-])cc1-c1ccccc1.
What is the InChIKey of N'-[3-(4-nitro-2-phenylphenyl)propyl]ethane-1,2-diamine?
The InChIKey is FYXQSYPMKSSGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c18-10-12-19-11-4-7-15-8-9-16(20(21)22)13-17(15)14-5-2-1-3-6-14/h1-3,5-6,8-9,13,19H,4,7,10-12,18H2.
What are the key properties of N'-[3-(4-nitro-2-phenylphenyl)propyl]ethane-1,2-diamine?
N'-[3-(4-nitro-2-phenylphenyl)propyl]ethane-1,2-diamine has a molecular weight of 299.37 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-nitro-2-phenylphenyl)propyl]ethane-1,2-diamine is sourced from PubChem (CID 87780608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).