N-[2-(2-chlorophenyl)-2-pentan-2-yloxyethyl]-2-methylpropan-2-amine

C17H28ClNO — CID 102984855

IUPACN-[2-(2-chlorophenyl)-2-pentan-2-yloxyethyl]-2-methylpropan-2-amine
SMILESCCCC(C)OC(CNC(C)(C)C)c1ccccc1Cl
InChIInChI=1S/C17H28ClNO/c1-6-9-13(2)20-16(12-19-17(3,4)5)14-10-7-8-11-15(14)18/h7-8,10-11,13,16,19H,6,9,12H2,1-5H3
InChIKeyOAKPZLHHFCRJCA-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.97
Rot. Bonds7

About N-[2-(2-chlorophenyl)-2-pentan-2-yloxyethyl]-2-methylpropan-2-amine

N-[2-(2-chlorophenyl)-2-pentan-2-yloxyethyl]-2-methylpropan-2-amine (PubChem CID 102984855) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-pentan-2-yloxyethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-pentan-2-yloxyethyl]-2-methylpropan-2-amine
PubChem CID102984855
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC NameN-[2-(2-chlorophenyl)-2-pentan-2-yloxyethyl]-2-methylpropan-2-amine
SMILESCCCC(C)OC(CNC(C)(C)C)c1ccccc1Cl
InChIInChI=1S/C17H28ClNO/c1-6-9-13(2)20-16(12-19-17(3,4)5)14-10-7-8-11-15(14)18/h7-8,10-11,13,16,19H,6,9,12H2,1-5H3
InChIKeyOAKPZLHHFCRJCA-UHFFFAOYSA-N
XLogP4.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)-2-pentan-2-yloxyethyl]-2-methylpropan-2-amine
CID 102984751
N-[2-(2-chlorophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 62105956
N-tert-butyl-2-(2-chlorophenyl)-3-methylpentan-1-amine
CID 79446177
N-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]-2-methylpropan-2-amine
CID 106204942
(1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
CID 667686
2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;ethanol
CID 174971213
N-tert-butyl-3-(2-chlorophenyl)butan-1-amine
CID 81018856
(1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride
CID 45357807
N-[2-(2-bromophenyl)-2-pentan-2-yloxyethyl]propan-1-amine
CID 102984669
N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]-2-methylpropan-2-amine
CID 62108579
N-[2-(2-chlorophenyl)-2-(oxolan-3-ylmethoxy)ethyl]-2-methylpropan-2-amine
CID 62110739
N-tert-butyl-2-(2-methylphenyl)pentan-1-amine
CID 79420694

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-pentan-2-yloxyethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(2-chlorophenyl)-2-pentan-2-yloxyethyl]-2-methylpropan-2-amine (CID 102984855) is N-[2-(2-chlorophenyl)-2-pentan-2-yloxyethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-pentan-2-yloxyethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-pentan-2-yloxyethyl]-2-methylpropan-2-amine is CCCC(C)OC(CNC(C)(C)C)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-pentan-2-yloxyethyl]-2-methylpropan-2-amine?
The InChIKey is OAKPZLHHFCRJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO/c1-6-9-13(2)20-16(12-19-17(3,4)5)14-10-7-8-11-15(14)18/h7-8,10-11,13,16,19H,6,9,12H2,1-5H3.
What are the key properties of N-[2-(2-chlorophenyl)-2-pentan-2-yloxyethyl]-2-methylpropan-2-amine?
N-[2-(2-chlorophenyl)-2-pentan-2-yloxyethyl]-2-methylpropan-2-amine has a molecular weight of 297.87 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-pentan-2-yloxyethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 102984855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).