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

C17H28ClNO2 — CID 115942620

IUPACN-[2-(2-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine
SMILESCC(C)NCC(OCCOC(C)(C)C)c1ccccc1Cl
InChIInChI=1S/C17H28ClNO2/c1-13(2)19-12-16(14-8-6-7-9-15(14)18)20-10-11-21-17(3,4)5/h6-9,13,16,19H,10-12H2,1-5H3
InChIKeyNCJWSWLYLCZFHO-UHFFFAOYSA-N
MW313.87 g/mol
LogP4.21
Rot. Bonds8

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

N-[2-(2-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine (PubChem CID 115942620) has the molecular formula C17H28ClNO2 and a molecular weight of 313.87 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine
PubChem CID115942620
Molecular FormulaC17H28ClNO2
Molecular Weight313.87 g/mol
Exact Mass313.18
IUPAC NameN-[2-(2-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine
SMILESCC(C)NCC(OCCOC(C)(C)C)c1ccccc1Cl
InChIInChI=1S/C17H28ClNO2/c1-13(2)19-12-16(14-8-6-7-9-15(14)18)20-10-11-21-17(3,4)5/h6-9,13,16,19H,10-12H2,1-5H3
InChIKeyNCJWSWLYLCZFHO-UHFFFAOYSA-N
XLogP4.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.87
LogP ≤ 54.21
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-(2-chlorophenyl)-2-(3,3-dimethylbutoxy)ethyl]propan-2-amine
CID 66226677
N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylethyl]propan-2-amine
CID 115942665
1-[2-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]-2-chlorobenzene
CID 112589307
N-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine
CID 106204897
N-[2-(2-chlorophenyl)-2-(2-methylpropoxy)ethyl]propan-2-amine
CID 62108651
N-[2-(4-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine
CID 115942640
N-[2-(2-chlorophenyl)-2-methoxyethyl]propan-2-amine
CID 62107818
N-[2-(2-chlorophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 62105956
N-[2-(2-methoxyethoxy)-2-(2-methoxyphenyl)ethyl]propan-2-amine
CID 62108685
N-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]-2-methylpropan-2-amine
CID 106204942
2-(2-chlorophenyl)-N-ethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 112591597
N-[2-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-2-amine
CID 106449233

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine?
The IUPAC name of N-[2-(2-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine (CID 115942620) is N-[2-(2-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine is CC(C)NCC(OCCOC(C)(C)C)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine?
The InChIKey is NCJWSWLYLCZFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO2/c1-13(2)19-12-16(14-8-6-7-9-15(14)18)20-10-11-21-17(3,4)5/h6-9,13,16,19H,10-12H2,1-5H3.
What are the key properties of N-[2-(2-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine?
N-[2-(2-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine has a molecular weight of 313.87 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine is sourced from PubChem (CID 115942620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).