4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylaniline

C15H26N2O — CID 63785848

IUPAC4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylaniline
SMILESCCN(c1ccc(CCN)c(C)c1)C(C)COC
InChIInChI=1S/C15H26N2O/c1-5-17(13(3)11-18-4)15-7-6-14(8-9-16)12(2)10-15/h6-7,10,13H,5,8-9,11,16H2,1-4H3
InChIKeySWFHCFPDDFLWAF-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.36
Rot. Bonds7

About 4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylaniline

4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylaniline (PubChem CID 63785848) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylaniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylaniline
PubChem CID63785848
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylaniline
SMILESCCN(c1ccc(CCN)c(C)c1)C(C)COC
InChIInChI=1S/C15H26N2O/c1-5-17(13(3)11-18-4)15-7-6-14(8-9-16)12(2)10-15/h6-7,10,13H,5,8-9,11,16H2,1-4H3
InChIKeySWFHCFPDDFLWAF-UHFFFAOYSA-N
XLogP2.36
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylaniline?
The IUPAC name of 4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylaniline (CID 63785848) is 4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylaniline.
What is the SMILES notation for 4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylaniline?
The canonical SMILES for 4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylaniline is CCN(c1ccc(CCN)c(C)c1)C(C)COC.
What is the InChIKey of 4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylaniline?
The InChIKey is SWFHCFPDDFLWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-17(13(3)11-18-4)15-7-6-14(8-9-16)12(2)10-15/h6-7,10,13H,5,8-9,11,16H2,1-4H3.
What are the key properties of 4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylaniline?
4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylaniline has a molecular weight of 250.39 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylaniline is sourced from PubChem (CID 63785848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).