N-[(4-morpholin-4-yl-3-nitrophenyl)methyl]naphthalen-1-amine

C21H21N3O3 — CID 91674377

IUPACN-[(4-morpholin-4-yl-3-nitrophenyl)methyl]naphthalen-1-amine
SMILESO=[N+]([O-])c1cc(CNc2cccc3ccccc23)ccc1N1CCOCC1
InChIInChI=1S/C21H21N3O3/c25-24(26)21-14-16(8-9-20(21)23-10-12-27-13-11-23)15-22-19-7-3-5-17-4-1-2-6-18(17)19/h1-9,14,22H,10-13,15H2
InChIKeyWMXLCFJGQVPXHL-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.20
Rot. Bonds5

About N-[(4-morpholin-4-yl-3-nitrophenyl)methyl]naphthalen-1-amine

N-[(4-morpholin-4-yl-3-nitrophenyl)methyl]naphthalen-1-amine (PubChem CID 91674377) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[(4-morpholin-4-yl-3-nitrophenyl)methyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[(4-morpholin-4-yl-3-nitrophenyl)methyl]naphthalen-1-amine
PubChem CID91674377
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[(4-morpholin-4-yl-3-nitrophenyl)methyl]naphthalen-1-amine
SMILESO=[N+]([O-])c1cc(CNc2cccc3ccccc23)ccc1N1CCOCC1
InChIInChI=1S/C21H21N3O3/c25-24(26)21-14-16(8-9-20(21)23-10-12-27-13-11-23)15-22-19-7-3-5-17-4-1-2-6-18(17)19/h1-9,14,22H,10-13,15H2
InChIKeyWMXLCFJGQVPXHL-UHFFFAOYSA-N
XLogP4.20
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.20
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

3-methyl-N-[(4-morpholin-4-yl-3-nitrophenyl)methyl]aniline
CID 91674371
N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2-methyl-8-nitroquinolin-4-amine
CID 133436805
3,4-dimethyl-N-[(4-morpholin-4-yl-3-nitrophenyl)methyl]aniline
CID 91674372
4-butyl-N-[(4-morpholin-4-yl-3-nitrophenyl)methyl]aniline
CID 91674380
(4-morpholin-4-yl-3-nitrophenyl)methanol chloride
CID 45108369
2-morpholin-4-yl-N-naphthalen-1-yl-5-nitrobenzamide
CID 7900478
4-[[(4-morpholin-4-yl-3-nitrobenzoyl)carbamothioylamino]methyl]benzoic acid
CID 28688208
4-morpholin-4-yl-3-nitro-N-(2-nitrophenyl)benzamide
CID 4089078
N-naphthalen-1-yl-3-nitro-4-piperidin-1-ylbenzamide
CID 2980005
2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-8-nitroquinolin-4-amine
CID 133436329
N-[(4-methoxy-3-nitrophenyl)methyl]-3-morpholin-4-ylaniline
CID 71913653
N-[(6-methoxynaphthalen-2-yl)methyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 16962073

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-yl-3-nitrophenyl)methyl]naphthalen-1-amine?
The IUPAC name of N-[(4-morpholin-4-yl-3-nitrophenyl)methyl]naphthalen-1-amine (CID 91674377) is N-[(4-morpholin-4-yl-3-nitrophenyl)methyl]naphthalen-1-amine.
What is the SMILES notation for N-[(4-morpholin-4-yl-3-nitrophenyl)methyl]naphthalen-1-amine?
The canonical SMILES for N-[(4-morpholin-4-yl-3-nitrophenyl)methyl]naphthalen-1-amine is O=[N+]([O-])c1cc(CNc2cccc3ccccc23)ccc1N1CCOCC1.
What is the InChIKey of N-[(4-morpholin-4-yl-3-nitrophenyl)methyl]naphthalen-1-amine?
The InChIKey is WMXLCFJGQVPXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-24(26)21-14-16(8-9-20(21)23-10-12-27-13-11-23)15-22-19-7-3-5-17-4-1-2-6-18(17)19/h1-9,14,22H,10-13,15H2.
What are the key properties of N-[(4-morpholin-4-yl-3-nitrophenyl)methyl]naphthalen-1-amine?
N-[(4-morpholin-4-yl-3-nitrophenyl)methyl]naphthalen-1-amine has a molecular weight of 363.42 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-yl-3-nitrophenyl)methyl]naphthalen-1-amine is sourced from PubChem (CID 91674377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).