N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methyl-4-nitroaniline

C19H22ClN3O3 — CID 60503979

IUPACN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methyl-4-nitroaniline
SMILESCc1cc(NCC(c2ccccc2Cl)N2CCOCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H22ClN3O3/c1-14-12-15(6-7-18(14)23(24)25)21-13-19(22-8-10-26-11-9-22)16-4-2-3-5-17(16)20/h2-7,12,19,21H,8-11,13H2,1H3
InChIKeyYDMJVAXBVVOXDI-UHFFFAOYSA-N
MW375.86 g/mol
LogP4.04
Rot. Bonds6

About N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methyl-4-nitroaniline

N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methyl-4-nitroaniline (PubChem CID 60503979) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methyl-4-nitroaniline.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methyl-4-nitroaniline
PubChem CID60503979
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC NameN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methyl-4-nitroaniline
SMILESCc1cc(NCC(c2ccccc2Cl)N2CCOCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H22ClN3O3/c1-14-12-15(6-7-18(14)23(24)25)21-13-19(22-8-10-26-11-9-22)16-4-2-3-5-17(16)20/h2-7,12,19,21H,8-11,13H2,1H3
InChIKeyYDMJVAXBVVOXDI-UHFFFAOYSA-N
XLogP4.04
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 54.04
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

N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methyl-3-nitrobenzenesulfonamide
CID 43064486
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(2-nitrophenyl)acetamide
CID 37051019
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzenesulfonamide
CID 110314133
4-chloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzenesulfonamide
CID 46452560
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,4-dimethylbenzamide
CID 46412391
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide
CID 37054001
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylpropan-1-amine
CID 83380866
ethyl N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]carbamate
CID 110314125
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-nitroaniline
CID 134032103
2,3-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 43064501
2-(2-chlorophenyl)-N-(ethylsulfamoyl)-2-morpholin-4-ylethanamine
CID 110633437
N-(2-methoxy-2-phenylethyl)-3-methyl-4-nitroaniline
CID 78895934

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methyl-4-nitroaniline?
The IUPAC name of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methyl-4-nitroaniline (CID 60503979) is N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methyl-4-nitroaniline.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methyl-4-nitroaniline?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methyl-4-nitroaniline is Cc1cc(NCC(c2ccccc2Cl)N2CCOCC2)ccc1[N+](=O)[O-].
What is the InChIKey of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methyl-4-nitroaniline?
The InChIKey is YDMJVAXBVVOXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-14-12-15(6-7-18(14)23(24)25)21-13-19(22-8-10-26-11-9-22)16-4-2-3-5-17(16)20/h2-7,12,19,21H,8-11,13H2,1H3.
What are the key properties of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methyl-4-nitroaniline?
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methyl-4-nitroaniline has a molecular weight of 375.86 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methyl-4-nitroaniline is sourced from PubChem (CID 60503979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).