4-N-(3-ethoxypropyl)-4-N-methylbenzene-1,4-diamine

C12H20N2O — CID 65175697

IUPAC4-N-(3-ethoxypropyl)-4-N-methylbenzene-1,4-diamine
SMILESCCOCCCN(C)c1ccc(N)cc1
InChIInChI=1S/C12H20N2O/c1-3-15-10-4-9-14(2)12-7-5-11(13)6-8-12/h5-8H,3-4,9-10,13H2,1-2H3
InChIKeyYKNXNBSFMCCBMD-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.13
Rot. Bonds6

About 4-N-(3-ethoxypropyl)-4-N-methylbenzene-1,4-diamine

4-N-(3-ethoxypropyl)-4-N-methylbenzene-1,4-diamine (PubChem CID 65175697) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-N-(3-ethoxypropyl)-4-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-ethoxypropyl)-4-N-methylbenzene-1,4-diamine
PubChem CID65175697
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name4-N-(3-ethoxypropyl)-4-N-methylbenzene-1,4-diamine
SMILESCCOCCCN(C)c1ccc(N)cc1
InChIInChI=1S/C12H20N2O/c1-3-15-10-4-9-14(2)12-7-5-11(13)6-8-12/h5-8H,3-4,9-10,13H2,1-2H3
InChIKeyYKNXNBSFMCCBMD-UHFFFAOYSA-N
XLogP2.13
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-(2-dodecoxyethyl)-4-N-methylbenzene-1,4-diamine
CID 89150752
4-N-methyl-4-N-pentylbenzene-1,4-diamine
CID 28894857
4-N-(2-ethoxyethyl)-4-N-methylbenzene-1,2,4-triamine
CID 106751027
4-(3-ethoxypropoxy)aniline
CID 43365878
4-N-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine
CID 28894846
4-(3-ethoxypropoxymethyl)aniline
CID 65176442
N-(4-aminophenyl)-2-ethoxy-N-methylethanesulfonamide
CID 63245632
1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513
2-[3-ethoxypropyl(methyl)amino]phenol
CID 18006894
2-(4-amino-N-methylanilino)ethyl-trimethylazanium
CID 23132182
1-[4-[2-ethoxyethyl(methyl)amino]phenyl]ethanol
CID 81057167
5-(4-amino-N-methylanilino)-2,2-dimethylpentanenitrile
CID 65255711

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-ethoxypropyl)-4-N-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-(3-ethoxypropyl)-4-N-methylbenzene-1,4-diamine (CID 65175697) is 4-N-(3-ethoxypropyl)-4-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(3-ethoxypropyl)-4-N-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(3-ethoxypropyl)-4-N-methylbenzene-1,4-diamine is CCOCCCN(C)c1ccc(N)cc1.
What is the InChIKey of 4-N-(3-ethoxypropyl)-4-N-methylbenzene-1,4-diamine?
The InChIKey is YKNXNBSFMCCBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-15-10-4-9-14(2)12-7-5-11(13)6-8-12/h5-8H,3-4,9-10,13H2,1-2H3.
What are the key properties of 4-N-(3-ethoxypropyl)-4-N-methylbenzene-1,4-diamine?
4-N-(3-ethoxypropyl)-4-N-methylbenzene-1,4-diamine has a molecular weight of 208.30 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-ethoxypropyl)-4-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 65175697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).