2-[2-(pentan-2-ylamino)ethoxy]aniline

C13H22N2O — CID 107886628

IUPAC2-[2-(pentan-2-ylamino)ethoxy]aniline
SMILESCCCC(C)NCCOc1ccccc1N
InChIInChI=1S/C13H22N2O/c1-3-6-11(2)15-9-10-16-13-8-5-4-7-12(13)14/h4-5,7-8,11,15H,3,6,9-10,14H2,1-2H3
InChIKeySYKMEZAGQSTVHD-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.43
Rot. Bonds7

About 2-[2-(pentan-2-ylamino)ethoxy]aniline

2-[2-(pentan-2-ylamino)ethoxy]aniline (PubChem CID 107886628) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[2-(pentan-2-ylamino)ethoxy]aniline.

Molecular Properties

Compound Name2-[2-(pentan-2-ylamino)ethoxy]aniline
PubChem CID107886628
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-[2-(pentan-2-ylamino)ethoxy]aniline
SMILESCCCC(C)NCCOc1ccccc1N
InChIInChI=1S/C13H22N2O/c1-3-6-11(2)15-9-10-16-13-8-5-4-7-12(13)14/h4-5,7-8,11,15H,3,6,9-10,14H2,1-2H3
InChIKeySYKMEZAGQSTVHD-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylpentoxy)aniline
CID 45075234
N-[2-(2,4,5-trichlorophenoxy)ethyl]pentan-2-amine
CID 63505133
N-[2-(2-fluorophenoxy)ethyl]butan-2-amine
CID 2935869
N-[2-(2,3,5-trimethylphenoxy)ethyl]pentan-2-amine
CID 62598036
4-(2-propoxyphenyl)-N-propylbutan-2-amine
CID 104662724
5-methyl-N-(2-naphthalen-1-yloxyethyl)hexan-2-amine
CID 63505261
N-[2-(2-tert-butyl-4-methylphenoxy)ethyl]pentan-2-amine
CID 63505239
2-octoxyaniline
CID 14747235
2-(3,3-difluoropropoxy)aniline
CID 84660949
N-[2-(3-methylsulfonylphenoxy)ethyl]pentan-2-amine
CID 62583058
1-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-2-amine
CID 62572002
N-(2-phenoxyethyl)octan-2-amine
CID 60689825

Frequently Asked Questions

What is the IUPAC name of 2-[2-(pentan-2-ylamino)ethoxy]aniline?
The IUPAC name of 2-[2-(pentan-2-ylamino)ethoxy]aniline (CID 107886628) is 2-[2-(pentan-2-ylamino)ethoxy]aniline.
What is the SMILES notation for 2-[2-(pentan-2-ylamino)ethoxy]aniline?
The canonical SMILES for 2-[2-(pentan-2-ylamino)ethoxy]aniline is CCCC(C)NCCOc1ccccc1N.
What is the InChIKey of 2-[2-(pentan-2-ylamino)ethoxy]aniline?
The InChIKey is SYKMEZAGQSTVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-6-11(2)15-9-10-16-13-8-5-4-7-12(13)14/h4-5,7-8,11,15H,3,6,9-10,14H2,1-2H3.
What are the key properties of 2-[2-(pentan-2-ylamino)ethoxy]aniline?
2-[2-(pentan-2-ylamino)ethoxy]aniline has a molecular weight of 222.33 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pentan-2-ylamino)ethoxy]aniline is sourced from PubChem (CID 107886628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).