N-[2-(4-chlorophenyl)-2-pentan-2-yloxyethyl]-2-methylpropan-2-amine

C17H28ClNO — CID 102984751

IUPACN-[2-(4-chlorophenyl)-2-pentan-2-yloxyethyl]-2-methylpropan-2-amine
SMILESCCCC(C)OC(CNC(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C17H28ClNO/c1-6-7-13(2)20-16(12-19-17(3,4)5)14-8-10-15(18)11-9-14/h8-11,13,16,19H,6-7,12H2,1-5H3
InChIKeyGTMFWTZNMTZNMW-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.97
Rot. Bonds7

About N-[2-(4-chlorophenyl)-2-pentan-2-yloxyethyl]-2-methylpropan-2-amine

N-[2-(4-chlorophenyl)-2-pentan-2-yloxyethyl]-2-methylpropan-2-amine (PubChem CID 102984751) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-pentan-2-yloxyethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-pentan-2-yloxyethyl]-2-methylpropan-2-amine
PubChem CID102984751
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC NameN-[2-(4-chlorophenyl)-2-pentan-2-yloxyethyl]-2-methylpropan-2-amine
SMILESCCCC(C)OC(CNC(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C17H28ClNO/c1-6-7-13(2)20-16(12-19-17(3,4)5)14-8-10-15(18)11-9-14/h8-11,13,16,19H,6-7,12H2,1-5H3
InChIKeyGTMFWTZNMTZNMW-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-(1-ethoxypropan-2-yloxy)ethyl]-2-methylpropan-2-amine
CID 103490153
N-[2-(2-chlorophenyl)-2-pentan-2-yloxyethyl]-2-methylpropan-2-amine
CID 102984855
N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]-2-methylpropan-2-amine
CID 62108579
N-[2-(3-chlorophenyl)-2-(4-methylpentan-2-yloxy)ethyl]-2-methylpropan-2-amine
CID 63476220
N-[2-(4-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]-2-methylpropan-2-amine
CID 106204958
(1S)-2-(tert-butylamino)-1-(4-chlorophenyl)ethanol
CID 39247269
N-[2-(4-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine
CID 66275084
1-(2-bromo-1-butan-2-yloxyethyl)-4-chlorobenzene
CID 30612
N-tert-butyl-2-(3-chlorophenyl)-3-methylhexan-1-amine
CID 107886919
1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)ethyl]butan-1-amine
CID 43106646
1-(1-butoxybutyl)-4-chlorobenzene
CID 56977636
N-tert-butyl-2-(4-chlorophenyl)-4-methylsulfonylbutan-1-amine
CID 79438198

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-pentan-2-yloxyethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(4-chlorophenyl)-2-pentan-2-yloxyethyl]-2-methylpropan-2-amine (CID 102984751) is N-[2-(4-chlorophenyl)-2-pentan-2-yloxyethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-pentan-2-yloxyethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-pentan-2-yloxyethyl]-2-methylpropan-2-amine is CCCC(C)OC(CNC(C)(C)C)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-pentan-2-yloxyethyl]-2-methylpropan-2-amine?
The InChIKey is GTMFWTZNMTZNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO/c1-6-7-13(2)20-16(12-19-17(3,4)5)14-8-10-15(18)11-9-14/h8-11,13,16,19H,6-7,12H2,1-5H3.
What are the key properties of N-[2-(4-chlorophenyl)-2-pentan-2-yloxyethyl]-2-methylpropan-2-amine?
N-[2-(4-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-(4-chlorophenyl)-2-pentan-2-yloxyethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 102984751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).