(4-ethoxyphenyl)-(3-nitrophenyl)methanamine

C15H16N2O3 — CID 70193824

IUPAC(4-ethoxyphenyl)-(3-nitrophenyl)methanamine
SMILESCCOc1ccc(C(N)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H16N2O3/c1-2-20-14-8-6-11(7-9-14)15(16)12-4-3-5-13(10-12)17(18)19/h3-10,15H,2,16H2,1H3
InChIKeyPTQRQTCCTLMTET-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.04
Rot. Bonds5

About (4-ethoxyphenyl)-(3-nitrophenyl)methanamine

(4-ethoxyphenyl)-(3-nitrophenyl)methanamine (PubChem CID 70193824) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is (4-ethoxyphenyl)-(3-nitrophenyl)methanamine.

Molecular Properties

Compound Name(4-ethoxyphenyl)-(3-nitrophenyl)methanamine
PubChem CID70193824
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name(4-ethoxyphenyl)-(3-nitrophenyl)methanamine
SMILESCCOc1ccc(C(N)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H16N2O3/c1-2-20-14-8-6-11(7-9-14)15(16)12-4-3-5-13(10-12)17(18)19/h3-10,15H,2,16H2,1H3
InChIKeyPTQRQTCCTLMTET-UHFFFAOYSA-N
XLogP3.04
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.04
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

(R)-(4-ethoxyphenyl)-(3-nitrophenyl)methanol
CID 100803960
(R)-(3-nitrophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171245523
(2,4-dimethoxyphenyl)-(3-nitrophenyl)methanamine
CID 70193845
1-(3-nitrophenyl)butan-1-amine
CID 43200371
3-(4-ethoxyphenyl)-1-methyl-1-[(1S)-1-(3-nitrophenyl)ethyl]thiourea
CID 8560882
(3-nitrophenyl) 4-ethoxybenzenesulfonate
CID 51169952
1-[1-(4-ethoxyphenyl)ethyl]-3-(3-nitrophenyl)urea
CID 2957728
1-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-(3-nitrophenyl)urea
CID 971988
[(1R)-1-(3-nitrophenyl)ethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 9060375
1-(3-nitrophenyl)ethanamine;hydrochloride
CID 23105088
1-[(4-ethoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium
CID 6981277
1-(3-nitrophenyl)ethyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 18273363

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-(3-nitrophenyl)methanamine?
The IUPAC name of (4-ethoxyphenyl)-(3-nitrophenyl)methanamine (CID 70193824) is (4-ethoxyphenyl)-(3-nitrophenyl)methanamine.
What is the SMILES notation for (4-ethoxyphenyl)-(3-nitrophenyl)methanamine?
The canonical SMILES for (4-ethoxyphenyl)-(3-nitrophenyl)methanamine is CCOc1ccc(C(N)c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-(3-nitrophenyl)methanamine?
The InChIKey is PTQRQTCCTLMTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-20-14-8-6-11(7-9-14)15(16)12-4-3-5-13(10-12)17(18)19/h3-10,15H,2,16H2,1H3.
What are the key properties of (4-ethoxyphenyl)-(3-nitrophenyl)methanamine?
(4-ethoxyphenyl)-(3-nitrophenyl)methanamine has a molecular weight of 272.30 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-(3-nitrophenyl)methanamine is sourced from PubChem (CID 70193824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).