N-[2-(2-propan-2-ylphenoxy)ethyl]aniline

C17H21NO — CID 54796175

IUPACN-[2-(2-propan-2-ylphenoxy)ethyl]aniline
SMILESCC(C)c1ccccc1OCCNc1ccccc1
InChIInChI=1S/C17H21NO/c1-14(2)16-10-6-7-11-17(16)19-13-12-18-15-8-4-3-5-9-15/h3-11,14,18H,12-13H2,1-2H3
InChIKeyLZXVIFXHLYMZCR-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.30
Rot. Bonds6

About N-[2-(2-propan-2-ylphenoxy)ethyl]aniline

N-[2-(2-propan-2-ylphenoxy)ethyl]aniline (PubChem CID 54796175) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[2-(2-propan-2-ylphenoxy)ethyl]aniline.

Molecular Properties

Compound NameN-[2-(2-propan-2-ylphenoxy)ethyl]aniline
PubChem CID54796175
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-[2-(2-propan-2-ylphenoxy)ethyl]aniline
SMILESCC(C)c1ccccc1OCCNc1ccccc1
InChIInChI=1S/C17H21NO/c1-14(2)16-10-6-7-11-17(16)19-13-12-18-15-8-4-3-5-9-15/h3-11,14,18H,12-13H2,1-2H3
InChIKeyLZXVIFXHLYMZCR-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methylbutoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
CID 54800519
2-ethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
CID 54798096
3-(2-ethoxyethoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
CID 54801785
3-(2-propan-2-ylphenoxy)propylhydrazine
CID 94681406
2-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 54853093
N-[2-(2-chlorophenoxy)ethyl]aniline
CID 19079516
4-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pyrimidin-2-amine
CID 133309879
N',N'-dimethyl-N-[2-(2-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine
CID 62572472
N,2-dimethyl-4-(2-propan-2-ylphenoxy)butan-2-amine
CID 94686635
4-butan-2-yloxy-N-[2-(2-butan-2-ylphenoxy)ethyl]aniline
CID 54802814
N-[2-(2-butan-2-ylphenoxy)ethyl]-4-(2-methylpropoxy)aniline
CID 54799143
4-bromo-N-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]aniline
CID 115402812

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-propan-2-ylphenoxy)ethyl]aniline?
The IUPAC name of N-[2-(2-propan-2-ylphenoxy)ethyl]aniline (CID 54796175) is N-[2-(2-propan-2-ylphenoxy)ethyl]aniline.
What is the SMILES notation for N-[2-(2-propan-2-ylphenoxy)ethyl]aniline?
The canonical SMILES for N-[2-(2-propan-2-ylphenoxy)ethyl]aniline is CC(C)c1ccccc1OCCNc1ccccc1.
What is the InChIKey of N-[2-(2-propan-2-ylphenoxy)ethyl]aniline?
The InChIKey is LZXVIFXHLYMZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-14(2)16-10-6-7-11-17(16)19-13-12-18-15-8-4-3-5-9-15/h3-11,14,18H,12-13H2,1-2H3.
What are the key properties of N-[2-(2-propan-2-ylphenoxy)ethyl]aniline?
N-[2-(2-propan-2-ylphenoxy)ethyl]aniline has a molecular weight of 255.36 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-propan-2-ylphenoxy)ethyl]aniline is sourced from PubChem (CID 54796175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).