4-(2-aminoethoxy)-N-pentan-2-ylaniline

C13H22N2O — CID 107886099

IUPAC4-(2-aminoethoxy)-N-pentan-2-ylaniline
SMILESCCCC(C)Nc1ccc(OCCN)cc1
InChIInChI=1S/C13H22N2O/c1-3-4-11(2)15-12-5-7-13(8-6-12)16-10-9-14/h5-8,11,15H,3-4,9-10,14H2,1-2H3
InChIKeyBUISRTJVOJNRBZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.62
Rot. Bonds7

About 4-(2-aminoethoxy)-N-pentan-2-ylaniline

4-(2-aminoethoxy)-N-pentan-2-ylaniline (PubChem CID 107886099) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-N-pentan-2-ylaniline.

Molecular Properties

Compound Name4-(2-aminoethoxy)-N-pentan-2-ylaniline
PubChem CID107886099
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-(2-aminoethoxy)-N-pentan-2-ylaniline
SMILESCCCC(C)Nc1ccc(OCCN)cc1
InChIInChI=1S/C13H22N2O/c1-3-4-11(2)15-12-5-7-13(8-6-12)16-10-9-14/h5-8,11,15H,3-4,9-10,14H2,1-2H3
InChIKeyBUISRTJVOJNRBZ-UHFFFAOYSA-N
XLogP2.62
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxyethoxy)-N-pentan-2-ylaniline
CID 43734198
3-N-(4-ethoxyphenyl)butane-1,3-diamine
CID 117027044
N-hexan-2-yl-4-[3-[4-(hexan-2-ylamino)phenoxy]propoxy]aniline
CID 54014240
N-hexan-2-yl-4-propoxyaniline
CID 21311820
N-(5-methylhexan-2-yl)-4-[4-[4-(5-methylhexan-2-ylamino)phenoxy]butoxy]aniline
CID 70605379
N-butan-2-yl-4-propoxyaniline
CID 21311789
4-(aminomethyl)-N-pentan-2-ylaniline
CID 107886094
N-hexan-2-yl-4-[[4-(hexan-2-ylamino)phenoxy]methoxy]aniline
CID 161243666
2-N-[4-(2-methoxyethoxy)phenyl]propane-1,2-diamine
CID 103388752
N-propan-2-yl-4-propoxyaniline
CID 21311809
N-(1-ethylsulfonylpropan-2-yl)-4-propoxyaniline
CID 115922546
ethyl 3-(4-propoxyanilino)butanoate
CID 62328151

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-N-pentan-2-ylaniline?
The IUPAC name of 4-(2-aminoethoxy)-N-pentan-2-ylaniline (CID 107886099) is 4-(2-aminoethoxy)-N-pentan-2-ylaniline.
What is the SMILES notation for 4-(2-aminoethoxy)-N-pentan-2-ylaniline?
The canonical SMILES for 4-(2-aminoethoxy)-N-pentan-2-ylaniline is CCCC(C)Nc1ccc(OCCN)cc1.
What is the InChIKey of 4-(2-aminoethoxy)-N-pentan-2-ylaniline?
The InChIKey is BUISRTJVOJNRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-4-11(2)15-12-5-7-13(8-6-12)16-10-9-14/h5-8,11,15H,3-4,9-10,14H2,1-2H3.
What are the key properties of 4-(2-aminoethoxy)-N-pentan-2-ylaniline?
4-(2-aminoethoxy)-N-pentan-2-ylaniline has a molecular weight of 222.33 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-N-pentan-2-ylaniline is sourced from PubChem (CID 107886099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).