ethane;N-ethyl-3-methoxyaniline

C11H19NO — CID 142222302

IUPACethane;N-ethyl-3-methoxyaniline
SMILESCC.CCNc1cccc(OC)c1
InChIInChI=1S/C9H13NO.C2H6/c1-3-10-8-5-4-6-9(7-8)11-2;1-2/h4-7,10H,3H2,1-2H3;1-2H3
InChIKeyONKMFEJTFLFUGP-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.15
Rot. Bonds3

About ethane;N-ethyl-3-methoxyaniline

ethane;N-ethyl-3-methoxyaniline (PubChem CID 142222302) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is ethane;N-ethyl-3-methoxyaniline.

Molecular Properties

Compound Nameethane;N-ethyl-3-methoxyaniline
PubChem CID142222302
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Nameethane;N-ethyl-3-methoxyaniline
SMILESCC.CCNc1cccc(OC)c1
InChIInChI=1S/C9H13NO.C2H6/c1-3-10-8-5-4-6-9(7-8)11-2;1-2/h4-7,10H,3H2,1-2H3;1-2H3
InChIKeyONKMFEJTFLFUGP-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806261
N-hexyl-3-methoxyaniline
CID 15500485
N'-(3-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 54806936
3-methoxy-N-(pyrimidin-2-ylmethyl)aniline
CID 62698211
N-(3-methoxyphenyl)thiohydroxylamine
CID 88816374
N'-(3,4-dichlorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 54805981
N-[(4-iodophenyl)methyl]-3-methoxyaniline
CID 65478997
ethane;3-methoxy-N-[2-(2-methoxyethoxy)ethyl]aniline;propan-1-amine
CID 156823958
N-[2-(4-chlorophenoxy)propyl]-3-methoxyaniline
CID 54797523
N'-(3-chloro-4-methylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 54807166
3-methoxy-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409360
3-(3-methoxyanilino)propanamide
CID 43131962

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-3-methoxyaniline?
The IUPAC name of ethane;N-ethyl-3-methoxyaniline (CID 142222302) is ethane;N-ethyl-3-methoxyaniline.
What is the SMILES notation for ethane;N-ethyl-3-methoxyaniline?
The canonical SMILES for ethane;N-ethyl-3-methoxyaniline is CC.CCNc1cccc(OC)c1.
What is the InChIKey of ethane;N-ethyl-3-methoxyaniline?
The InChIKey is ONKMFEJTFLFUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.C2H6/c1-3-10-8-5-4-6-9(7-8)11-2;1-2/h4-7,10H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;N-ethyl-3-methoxyaniline?
ethane;N-ethyl-3-methoxyaniline has a molecular weight of 181.28 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-3-methoxyaniline is sourced from PubChem (CID 142222302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).