N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylethyl]propan-2-amine

C17H29NO2 — CID 115942665

IUPACN-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylethyl]propan-2-amine
SMILESCC(C)NCC(OCCOC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H29NO2/c1-14(2)18-13-16(15-9-7-6-8-10-15)19-11-12-20-17(3,4)5/h6-10,14,16,18H,11-13H2,1-5H3
InChIKeyACWHGTXTMUJCAP-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.56
Rot. Bonds8

About N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylethyl]propan-2-amine

N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylethyl]propan-2-amine (PubChem CID 115942665) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylethyl]propan-2-amine
PubChem CID115942665
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylethyl]propan-2-amine
SMILESCC(C)NCC(OCCOC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H29NO2/c1-14(2)18-13-16(15-9-7-6-8-10-15)19-11-12-20-17(3,4)5/h6-10,14,16,18H,11-13H2,1-5H3
InChIKeyACWHGTXTMUJCAP-UHFFFAOYSA-N
XLogP3.56
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine
CID 115942640
N-[2-phenyl-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
CID 62108300
N-[2-(2-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine
CID 115942620
N-[2-(3-methoxypropoxy)-2-phenylethyl]propan-2-amine
CID 62107338
N-[2-phenyl-2-(2-piperidin-1-ylethoxy)ethyl]propan-2-amine
CID 62458613
N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-amine
CID 112587403
N-[2-(3-methylphenyl)-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
CID 62108473
N-[2-(3-chlorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
CID 62108478
N-[2-(furan-2-ylmethoxy)-2-phenylethyl]propan-2-amine
CID 62444274
[1-phenyl-2-(propan-2-ylamino)ethyl] acetate
CID 54509010
N-[2-(2-ethoxyethoxy)-2-phenylethyl]-2-methylpropan-2-amine
CID 62108265
N-[2-(4-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
CID 63475005

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylethyl]propan-2-amine?
The IUPAC name of N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylethyl]propan-2-amine (CID 115942665) is N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylethyl]propan-2-amine.
What is the SMILES notation for N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylethyl]propan-2-amine?
The canonical SMILES for N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylethyl]propan-2-amine is CC(C)NCC(OCCOC(C)(C)C)c1ccccc1.
What is the InChIKey of N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylethyl]propan-2-amine?
The InChIKey is ACWHGTXTMUJCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-14(2)18-13-16(15-9-7-6-8-10-15)19-11-12-20-17(3,4)5/h6-10,14,16,18H,11-13H2,1-5H3.
What are the key properties of N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylethyl]propan-2-amine?
N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylethyl]propan-2-amine has a molecular weight of 279.42 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylethyl]propan-2-amine is sourced from PubChem (CID 115942665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).