N-(2-phenylethyl)-4-propan-2-yloxyaniline

C17H21NO — CID 28969676

IUPACN-(2-phenylethyl)-4-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(NCCc2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-14(2)19-17-10-8-16(9-11-17)18-13-12-15-6-4-3-5-7-15/h3-11,14,18H,12-13H2,1-2H3
InChIKeyATGCEBQMZKEXJF-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.13
Rot. Bonds6

About N-(2-phenylethyl)-4-propan-2-yloxyaniline

N-(2-phenylethyl)-4-propan-2-yloxyaniline (PubChem CID 28969676) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-propan-2-yloxyaniline
PubChem CID28969676
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-(2-phenylethyl)-4-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(NCCc2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-14(2)19-17-10-8-16(9-11-17)18-13-12-15-6-4-3-5-7-15/h3-11,14,18H,12-13H2,1-2H3
InChIKeyATGCEBQMZKEXJF-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)aniline
CID 60863119
N-benzyl-4-propan-2-yloxyaniline
CID 28969524
N-[2-(2-methylphenyl)ethyl]-4-propan-2-yloxyaniline
CID 54799793
3-chloro-N-(2-phenylethyl)-4-propan-2-yloxyaniline
CID 43727125
[4-(2-phenylethylamino)phenyl] (2S)-2-hydroxypropanoate
CID 175114702
ethane;N-(2-phenylethyl)aniline
CID 91194556
1-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine
CID 83962401
N'-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54806264
N-(2-phenylsulfanylethyl)-4-propan-2-yloxyaniline
CID 79213159
4-[(2R)-2-aminopropyl]-N-(2-phenylethyl)aniline
CID 66675261
N-[2-(4-methoxyphenyl)ethyl]-3-propan-2-yloxyaniline
CID 54802782
4-(methoxymethyl)-N-(2-phenylethyl)aniline
CID 83961080

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-propan-2-yloxyaniline?
The IUPAC name of N-(2-phenylethyl)-4-propan-2-yloxyaniline (CID 28969676) is N-(2-phenylethyl)-4-propan-2-yloxyaniline.
What is the SMILES notation for N-(2-phenylethyl)-4-propan-2-yloxyaniline?
The canonical SMILES for N-(2-phenylethyl)-4-propan-2-yloxyaniline is CC(C)Oc1ccc(NCCc2ccccc2)cc1.
What is the InChIKey of N-(2-phenylethyl)-4-propan-2-yloxyaniline?
The InChIKey is ATGCEBQMZKEXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-14(2)19-17-10-8-16(9-11-17)18-13-12-15-6-4-3-5-7-15/h3-11,14,18H,12-13H2,1-2H3.
What are the key properties of N-(2-phenylethyl)-4-propan-2-yloxyaniline?
N-(2-phenylethyl)-4-propan-2-yloxyaniline has a molecular weight of 255.36 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4-propan-2-yloxyaniline is sourced from PubChem (CID 28969676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).