1-(4-chlorophenyl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine

C16H17ClN2O3 — CID 26515521

IUPAC1-(4-chlorophenyl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine
SMILESCOc1ccc([N+](=O)[O-])cc1CN(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O3/c1-18(10-12-3-5-14(17)6-4-12)11-13-9-15(19(20)21)7-8-16(13)22-2/h3-9H,10-11H2,1-2H3
InChIKeyDBWISGMOKMROLE-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.89
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine

1-(4-chlorophenyl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine (PubChem CID 26515521) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine
PubChem CID26515521
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name1-(4-chlorophenyl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine
SMILESCOc1ccc([N+](=O)[O-])cc1CN(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O3/c1-18(10-12-3-5-14(17)6-4-12)11-13-9-15(19(20)21)7-8-16(13)22-2/h3-9H,10-11H2,1-2H3
InChIKeyDBWISGMOKMROLE-UHFFFAOYSA-N
XLogP3.89
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.89
H-Bond Donors ≤ 50
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

N-(5-chloro-2-methoxyphenyl)-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide
CID 27245257
1-(5-bromofuran-2-yl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine
CID 37420801
ethane;2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-4-nitrobenzaldehyde
CID 170585689
2-(3,4-dimethoxyphenyl)-N-methyl-N-[(4-nitrophenyl)methyl]ethanamine
CID 2842584
N,N-diethyl-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide
CID 134044889
(2S)-2-[(4-chlorophenyl)methyl-methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2657422
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(dimethylamino)-N-methyl-5-nitrobenzamide
CID 33163705
1-(2-methoxy-5-nitrophenyl)-3-phenylpropan-2-one
CID 158664219
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3,5-dinitrobenzamide
CID 26726400
5-chloro-2-fluoro-N-[(2-methoxy-5-nitrophenyl)methyl]aniline
CID 43385720
2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 2892197
methyl 3-(2-methoxy-5-nitrophenyl)-2-oxopropanoate
CID 18370815

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine (CID 26515521) is 1-(4-chlorophenyl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine is COc1ccc([N+](=O)[O-])cc1CN(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine?
The InChIKey is DBWISGMOKMROLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-18(10-12-3-5-14(17)6-4-12)11-13-9-15(19(20)21)7-8-16(13)22-2/h3-9H,10-11H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine?
1-(4-chlorophenyl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine has a molecular weight of 320.78 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine is sourced from PubChem (CID 26515521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).