(2-ethyl-5-nitrophenyl)-(2-methoxyphenyl)methanamine

C16H18N2O3 — CID 43824948

IUPAC(2-ethyl-5-nitrophenyl)-(2-methoxyphenyl)methanamine
SMILESCCc1ccc([N+](=O)[O-])cc1C(N)c1ccccc1OC
InChIInChI=1S/C16H18N2O3/c1-3-11-8-9-12(18(19)20)10-14(11)16(17)13-6-4-5-7-15(13)21-2/h4-10,16H,3,17H2,1-2H3
InChIKeyPTGMFWRBAIGMMG-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.21
Rot. Bonds5

About (2-ethyl-5-nitrophenyl)-(2-methoxyphenyl)methanamine

(2-ethyl-5-nitrophenyl)-(2-methoxyphenyl)methanamine (PubChem CID 43824948) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2-ethyl-5-nitrophenyl)-(2-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-ethyl-5-nitrophenyl)-(2-methoxyphenyl)methanamine
PubChem CID43824948
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(2-ethyl-5-nitrophenyl)-(2-methoxyphenyl)methanamine
SMILESCCc1ccc([N+](=O)[O-])cc1C(N)c1ccccc1OC
InChIInChI=1S/C16H18N2O3/c1-3-11-8-9-12(18(19)20)10-14(11)16(17)13-6-4-5-7-15(13)21-2/h4-10,16H,3,17H2,1-2H3
InChIKeyPTGMFWRBAIGMMG-UHFFFAOYSA-N
XLogP3.21
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
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

1-(2-methoxy-5-nitrophenyl)propan-1-amine
CID 43825597
(3,5-difluorophenyl)-(2-ethyl-5-nitrophenyl)methanamine
CID 43824965
(2-methoxyphenyl)-(3-methyl-5-nitrophenyl)methanamine
CID 43825492
1-(2,2-dimethylpropyl)-2-methoxy-4-nitrobenzene
CID 57080324
(3S)-4-(2,4-dinitrophenyl)-3-(2-methoxyphenyl)butanal
CID 102110596
4-amino-1-(2-methoxy-5-nitrophenyl)butane-1,2-diol
CID 171881976
(2-ethoxyphenyl)-(2-ethylphenyl)methanamine
CID 115853715
aniline;2-methoxy-4-nitroaniline
CID 154966148
4-hydroxy-4-(2-methoxy-5-nitrophenyl)butan-2-one
CID 4641694
methyl (2R)-2-amino-3-(2-methoxy-4-nitrophenyl)propanoate
CID 171238011
azane;2-(2-methoxy-4-nitrophenyl)ethanamine
CID 19827481
1,2-bis[(2-methoxyphenyl)methoxy]-4-nitrobenzene
CID 142794424

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-nitrophenyl)-(2-methoxyphenyl)methanamine?
The IUPAC name of (2-ethyl-5-nitrophenyl)-(2-methoxyphenyl)methanamine (CID 43824948) is (2-ethyl-5-nitrophenyl)-(2-methoxyphenyl)methanamine.
What is the SMILES notation for (2-ethyl-5-nitrophenyl)-(2-methoxyphenyl)methanamine?
The canonical SMILES for (2-ethyl-5-nitrophenyl)-(2-methoxyphenyl)methanamine is CCc1ccc([N+](=O)[O-])cc1C(N)c1ccccc1OC.
What is the InChIKey of (2-ethyl-5-nitrophenyl)-(2-methoxyphenyl)methanamine?
The InChIKey is PTGMFWRBAIGMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-11-8-9-12(18(19)20)10-14(11)16(17)13-6-4-5-7-15(13)21-2/h4-10,16H,3,17H2,1-2H3.
What are the key properties of (2-ethyl-5-nitrophenyl)-(2-methoxyphenyl)methanamine?
(2-ethyl-5-nitrophenyl)-(2-methoxyphenyl)methanamine has a molecular weight of 286.33 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-nitrophenyl)-(2-methoxyphenyl)methanamine is sourced from PubChem (CID 43824948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).