3-N-ethyl-3-N-[(4-methoxyphenyl)methyl]benzene-1,3-diamine

C16H20N2O — CID 39358271

IUPAC3-N-ethyl-3-N-[(4-methoxyphenyl)methyl]benzene-1,3-diamine
SMILESCCN(Cc1ccc(OC)cc1)c1cccc(N)c1
InChIInChI=1S/C16H20N2O/c1-3-18(15-6-4-5-14(17)11-15)12-13-7-9-16(19-2)10-8-13/h4-11H,3,12,17H2,1-2H3
InChIKeyAUZUNIWLUDLJQM-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.30
Rot. Bonds5

About 3-N-ethyl-3-N-[(4-methoxyphenyl)methyl]benzene-1,3-diamine

3-N-ethyl-3-N-[(4-methoxyphenyl)methyl]benzene-1,3-diamine (PubChem CID 39358271) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-N-ethyl-3-N-[(4-methoxyphenyl)methyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-3-N-[(4-methoxyphenyl)methyl]benzene-1,3-diamine
PubChem CID39358271
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-N-ethyl-3-N-[(4-methoxyphenyl)methyl]benzene-1,3-diamine
SMILESCCN(Cc1ccc(OC)cc1)c1cccc(N)c1
InChIInChI=1S/C16H20N2O/c1-3-18(15-6-4-5-14(17)11-15)12-13-7-9-16(19-2)10-8-13/h4-11H,3,12,17H2,1-2H3
InChIKeyAUZUNIWLUDLJQM-UHFFFAOYSA-N
XLogP3.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.30
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-[2-(4-methoxyphenyl)ethyl]-3-N-propylbenzene-1,3-diamine
CID 65446769
2-[3-amino-N-[(4-methoxyphenyl)methyl]anilino]ethylcarbamic acid
CID 122610522
N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline
CID 142915130
3-N-[(3-chloro-4-fluorophenyl)methyl]-3-N-ethylbenzene-1,3-diamine
CID 103038313
3-N-ethyl-3-N-[(5-methyl-3-pyridinyl)methyl]benzene-1,3-diamine
CID 102881529
2-[4-[(N-ethyl-3-methoxyanilino)methyl]phenyl]acetaldehyde
CID 155065101
3-N-ethyl-3-N-(quinolin-6-ylmethyl)benzene-1,3-diamine
CID 63229505
N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline
CID 138518716
3-N-[(5-bromo-3-pyridinyl)methyl]-3-N-ethylbenzene-1,3-diamine
CID 113454392
3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine
CID 61444424
N-ethyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 138519666
3-N-[(4-fluorophenyl)methyl]-3-N-propylbenzene-1,3-diamine
CID 55175554

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-[(4-methoxyphenyl)methyl]benzene-1,3-diamine?
The IUPAC name of 3-N-ethyl-3-N-[(4-methoxyphenyl)methyl]benzene-1,3-diamine (CID 39358271) is 3-N-ethyl-3-N-[(4-methoxyphenyl)methyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-3-N-[(4-methoxyphenyl)methyl]benzene-1,3-diamine?
The canonical SMILES for 3-N-ethyl-3-N-[(4-methoxyphenyl)methyl]benzene-1,3-diamine is CCN(Cc1ccc(OC)cc1)c1cccc(N)c1.
What is the InChIKey of 3-N-ethyl-3-N-[(4-methoxyphenyl)methyl]benzene-1,3-diamine?
The InChIKey is AUZUNIWLUDLJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-18(15-6-4-5-14(17)11-15)12-13-7-9-16(19-2)10-8-13/h4-11H,3,12,17H2,1-2H3.
What are the key properties of 3-N-ethyl-3-N-[(4-methoxyphenyl)methyl]benzene-1,3-diamine?
3-N-ethyl-3-N-[(4-methoxyphenyl)methyl]benzene-1,3-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.30, 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-[(4-methoxyphenyl)methyl]benzene-1,3-diamine is sourced from PubChem (CID 39358271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).