1-[2,5-bis(2-methoxyphenyl)-4-nitrophenyl]propan-2-amine

C23H24N2O4 — CID 137354690

IUPAC1-[2,5-bis(2-methoxyphenyl)-4-nitrophenyl]propan-2-amine
SMILESCOc1ccccc1-c1cc([N+](=O)[O-])c(-c2ccccc2OC)cc1CC(C)N
InChIInChI=1S/C23H24N2O4/c1-15(24)12-16-13-20(18-9-5-7-11-23(18)29-3)21(25(26)27)14-19(16)17-8-4-6-10-22(17)28-2/h4-11,13-15H,12,24H2,1-3H3
InChIKeyBUAOTWYRGRXJEB-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.84
Rot. Bonds7

About 1-[2,5-bis(2-methoxyphenyl)-4-nitrophenyl]propan-2-amine

1-[2,5-bis(2-methoxyphenyl)-4-nitrophenyl]propan-2-amine (PubChem CID 137354690) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[2,5-bis(2-methoxyphenyl)-4-nitrophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2,5-bis(2-methoxyphenyl)-4-nitrophenyl]propan-2-amine
PubChem CID137354690
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name1-[2,5-bis(2-methoxyphenyl)-4-nitrophenyl]propan-2-amine
SMILESCOc1ccccc1-c1cc([N+](=O)[O-])c(-c2ccccc2OC)cc1CC(C)N
InChIInChI=1S/C23H24N2O4/c1-15(24)12-16-13-20(18-9-5-7-11-23(18)29-3)21(25(26)27)14-19(16)17-8-4-6-10-22(17)28-2/h4-11,13-15H,12,24H2,1-3H3
InChIKeyBUAOTWYRGRXJEB-UHFFFAOYSA-N
XLogP4.84
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-(2-methoxyphenyl)-2-nitrobenzene
CID 818687
5-(2-aminopropyl)-2-methoxy-4-nitrophenol
CID 170864461
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
1-(2-methoxyphenyl)-2-methyl-3-nitrobenzene
CID 10868487
1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanamine
CID 62504909
3-[(2R)-2-aminopropyl]-4-nitroaniline
CID 130744258
4-fluoro-1-methoxy-2-(2-nitrophenyl)benzene
CID 22147723
4-methoxy-2-(2-methoxyphenyl)-5-nitrobenzoic acid
CID 19604448
sodium 2-(2-aminopropyl)-6-nitrophenolate
CID 170864462
(2R)-1-(4-benzyl-2,5-dimethoxyphenyl)propan-2-amine
CID 69398998
4-(2,4-dimethoxy-5-nitrophenyl)butan-2-amine
CID 112720882
4-(2-aminopropyl)-5-nitrobenzene-1,2-diol
CID 131374132

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-bis(2-methoxyphenyl)-4-nitrophenyl]propan-2-amine?
The IUPAC name of 1-[2,5-bis(2-methoxyphenyl)-4-nitrophenyl]propan-2-amine (CID 137354690) is 1-[2,5-bis(2-methoxyphenyl)-4-nitrophenyl]propan-2-amine.
What is the SMILES notation for 1-[2,5-bis(2-methoxyphenyl)-4-nitrophenyl]propan-2-amine?
The canonical SMILES for 1-[2,5-bis(2-methoxyphenyl)-4-nitrophenyl]propan-2-amine is COc1ccccc1-c1cc([N+](=O)[O-])c(-c2ccccc2OC)cc1CC(C)N.
What is the InChIKey of 1-[2,5-bis(2-methoxyphenyl)-4-nitrophenyl]propan-2-amine?
The InChIKey is BUAOTWYRGRXJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-15(24)12-16-13-20(18-9-5-7-11-23(18)29-3)21(25(26)27)14-19(16)17-8-4-6-10-22(17)28-2/h4-11,13-15H,12,24H2,1-3H3.
What are the key properties of 1-[2,5-bis(2-methoxyphenyl)-4-nitrophenyl]propan-2-amine?
1-[2,5-bis(2-methoxyphenyl)-4-nitrophenyl]propan-2-amine has a molecular weight of 392.46 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-bis(2-methoxyphenyl)-4-nitrophenyl]propan-2-amine is sourced from PubChem (CID 137354690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).