N-ethyl-4-methoxyaniline;molecular hydrogen

C9H15NO — CID 142256400

IUPACN-ethyl-4-methoxyaniline;molecular hydrogen
SMILESCCNc1ccc(OC)cc1.[H][H]
InChIInChI=1S/C9H13NO.H2/c1-3-10-8-4-6-9(11-2)7-5-8;/h4-7,10H,3H2,1-2H3;1H
InChIKeyAIGROKGLUZNYGA-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.37
Rot. Bonds3

About N-ethyl-4-methoxyaniline;molecular hydrogen

N-ethyl-4-methoxyaniline;molecular hydrogen (PubChem CID 142256400) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-ethyl-4-methoxyaniline;molecular hydrogen.

Molecular Properties

Compound NameN-ethyl-4-methoxyaniline;molecular hydrogen
PubChem CID142256400
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-ethyl-4-methoxyaniline;molecular hydrogen
SMILESCCNc1ccc(OC)cc1.[H][H]
InChIInChI=1S/C9H13NO.H2/c1-3-10-8-4-6-9(11-2)7-5-8;/h4-7,10H,3H2,1-2H3;1H
InChIKeyAIGROKGLUZNYGA-UHFFFAOYSA-N
XLogP2.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-N-ethyl-5-N-(4-methoxyphenyl)pyridine-3,5-diamine
CID 104532189
N-[2-(4-methoxyphenyl)ethyl]-4-propylaniline
CID 65429365
N-(2-ethylsulfonylethyl)-4-methoxyaniline
CID 43807675
4-methoxy-N-(2,2,2-trifluoroethyl)aniline
CID 28585897
ethane;N-ethyl-3-methoxyaniline
CID 142222302
[4-(ethylamino)phenyl] acetate
CID 15120452
4-methoxy-N-(3-methoxypropyl)aniline
CID 60925973
4-(ethoxymethyl)-N-ethylaniline;molecular hydrogen
CID 145302198
N-(4-methoxyphenoxy)ethanamine
CID 88771391
N-(cyclopenta-2,4-dien-1-ylmethyl)-4-methoxyaniline
CID 15504952
4-(2-ethoxyethoxy)-N-ethylaniline
CID 54801151
4-methoxy-N-[[6-[(4-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline
CID 23539990

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxyaniline;molecular hydrogen?
The IUPAC name of N-ethyl-4-methoxyaniline;molecular hydrogen (CID 142256400) is N-ethyl-4-methoxyaniline;molecular hydrogen.
What is the SMILES notation for N-ethyl-4-methoxyaniline;molecular hydrogen?
The canonical SMILES for N-ethyl-4-methoxyaniline;molecular hydrogen is CCNc1ccc(OC)cc1.[H][H].
What is the InChIKey of N-ethyl-4-methoxyaniline;molecular hydrogen?
The InChIKey is AIGROKGLUZNYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.H2/c1-3-10-8-4-6-9(11-2)7-5-8;/h4-7,10H,3H2,1-2H3;1H.
What are the key properties of N-ethyl-4-methoxyaniline;molecular hydrogen?
N-ethyl-4-methoxyaniline;molecular hydrogen has a molecular weight of 153.22 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxyaniline;molecular hydrogen is sourced from PubChem (CID 142256400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).