3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine

C11H18N2O — CID 61444424

IUPAC3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine
SMILESCCN(CCOC)c1cccc(N)c1
InChIInChI=1S/C11H18N2O/c1-3-13(7-8-14-2)11-6-4-5-10(12)9-11/h4-6,9H,3,7-8,12H2,1-2H3
InChIKeyUOVNVVMHUQDNJU-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.74
Rot. Bonds5

About 3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine

3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine (PubChem CID 61444424) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine
PubChem CID61444424
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine
SMILESCCN(CCOC)c1cccc(N)c1
InChIInChI=1S/C11H18N2O/c1-3-13(7-8-14-2)11-6-4-5-10(12)9-11/h4-6,9H,3,7-8,12H2,1-2H3
InChIKeyUOVNVVMHUQDNJU-UHFFFAOYSA-N
XLogP1.74
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-N,3-N-bis(2-methoxyethyl)benzene-1,3-diamine
CID 43587927
3-N-ethyl-3-N-[3-(2-methoxyethoxy)propyl]benzene-1,3-diamine
CID 103410198
3-N-ethyl-3-N-propylbenzene-1,3-diamine
CID 43268426
3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)aniline
CID 102813670
3-N-ethyl-3-N-(3-methylbutyl)benzene-1,3-diamine
CID 63230057
3-(3-amino-N-ethylanilino)propan-1-ol
CID 63229758
3-N-ethyl-3-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,3-diamine
CID 116616304
5-ethoxy-3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine
CID 80728549
3-N-ethyl-3-N-(2-pyrrolidin-1-ylethyl)benzene-1,3-diamine
CID 107912737
N-ethyl-3-methoxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]aniline
CID 156571603
3-N-ethyl-3-N-[(4-methoxyphenyl)methyl]benzene-1,3-diamine
CID 39358271
3-N-ethyl-3-N-(2-methylbutyl)benzene-1,3-diamine
CID 63229637

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine?
The IUPAC name of 3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine (CID 61444424) is 3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine?
The canonical SMILES for 3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine is CCN(CCOC)c1cccc(N)c1.
What is the InChIKey of 3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine?
The InChIKey is UOVNVVMHUQDNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-13(7-8-14-2)11-6-4-5-10(12)9-11/h4-6,9H,3,7-8,12H2,1-2H3.
What are the key properties of 3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine?
3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine is sourced from PubChem (CID 61444424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).